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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Phenylmethylamines (241)
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1 – 15 of 572 results
1

2-(Trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N

PubChem CID 6922
CAS 88-17-5
Molecular Weight (g/mol) 161.127
MDL Number MFCD00007718
SMILES C1=CC=C(C(=C1)C(F)(F)F)N
Synonym 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene
IUPAC Name 2-(trifluoromethyl)aniline
InChI Key VBLXCTYLWZJBKA-UHFFFAOYSA-N
Molecular Formula C7H6F3N
2

4-(Trifluoromethyl)aniline, ≥97%, Thermo Scientific™

CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

PubChem CID 9964
CAS 455-14-1
Molecular Weight (g/mol) 161.127
ChEBI CHEBI:40750
MDL Number MFCD00064396
SMILES C1=CC(=CC=C1C(F)(F)F)N
Synonym 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine
IUPAC Name 4-(trifluoromethyl)aniline
InChI Key ODGIMMLDVSWADK-UHFFFAOYSA-N
Molecular Formula C7H6F3N
3

[2-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 478189-93-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064960 InChI Key: RMRHXMQGVDIPCL-UHFFFAOYSA-N Synonym: 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 22932192 IUPAC Name: [2-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=CC=C2CO

PubChem CID 22932192
CAS 478189-93-4
Molecular Weight (g/mol) 208.257
MDL Number MFCD09064960
SMILES C1COCCC1OC2=CC=CC=C2CO
Synonym 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name [2-(oxan-4-yloxy)phenyl]methanol
InChI Key RMRHXMQGVDIPCL-UHFFFAOYSA-N
Molecular Formula C12H16O3
5

N1-[4-Cyano-2-(trifluoromethoxy)phenyl]acetamide, ≥95%, Thermo Scientific™

CAS: 175278-19-0 Molecular Formula: C10H7F3N2O2 Molecular Weight (g/mol): 244.173 MDL Number: MFCD00204174 InChI Key: RHBNAXXJVYFEEA-UHFFFAOYSA-N Synonym: n-4-cyano-2-trifluoromethoxy phenyl acetamide,4-cyano-2-trifluoromethoxy acetanilide,n1-4-cyano-2-trifluoromethoxy phenyl acetamide,4'-cyano-2'-trifluoromethoxy acetanilide,maybridge1_000083,4'-cyano-2'-trifluoromethoxy acetanilid,n-4-cyano-2-trifluoromethoxyphenyl-acetamide PubChem CID: 2736739 IUPAC Name: N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide SMILES: CC(=O)NC1=C(C=C(C=C1)C#N)OC(F)(F)F

PubChem CID 2736739
CAS 175278-19-0
Molecular Weight (g/mol) 244.173
MDL Number MFCD00204174
SMILES CC(=O)NC1=C(C=C(C=C1)C#N)OC(F)(F)F
Synonym n-4-cyano-2-trifluoromethoxy phenyl acetamide,4-cyano-2-trifluoromethoxy acetanilide,n1-4-cyano-2-trifluoromethoxy phenyl acetamide,4'-cyano-2'-trifluoromethoxy acetanilide,maybridge1_000083,4'-cyano-2'-trifluoromethoxy acetanilid,n-4-cyano-2-trifluoromethoxyphenyl-acetamide
IUPAC Name N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
InChI Key RHBNAXXJVYFEEA-UHFFFAOYSA-N
Molecular Formula C10H7F3N2O2
6

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine, 90%, Thermo Scientific™

CAS: 179873-47-3 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD09702353 InChI Key: BBOCGPKUAXCMLG-UHFFFAOYSA-N Synonym: n-methyl-4-1-methyl-1h-pyrazol-3-yl benzylamine,benzenemethanamine,n-methyl-4-1-methyl-1h-pyrazol-3-yl,methyl 4-1-methylpyrazol-3-yl phenyl methyl amine,n-methyl-1-4-1-methyl-1h-pyrazol-3-yl phenyl methanamine,methyl 4-1-methyl-1h-pyrazol-3-yl phenyl methyl amine PubChem CID: 24229474 IUPAC Name: N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine SMILES: CNCC1=CC=C(C=C1)C2=NN(C=C2)C

PubChem CID 24229474
CAS 179873-47-3
Molecular Weight (g/mol) 201.273
MDL Number MFCD09702353
SMILES CNCC1=CC=C(C=C1)C2=NN(C=C2)C
Synonym n-methyl-4-1-methyl-1h-pyrazol-3-yl benzylamine,benzenemethanamine,n-methyl-4-1-methyl-1h-pyrazol-3-yl,methyl 4-1-methylpyrazol-3-yl phenyl methyl amine,n-methyl-1-4-1-methyl-1h-pyrazol-3-yl phenyl methanamine,methyl 4-1-methyl-1h-pyrazol-3-yl phenyl methyl amine
IUPAC Name N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine
InChI Key BBOCGPKUAXCMLG-UHFFFAOYSA-N
Molecular Formula C12H15N3
7

methyl N-(3,5-dichlorophenyl)carbamate, Thermo Scientific™

CAS: 25217-43-0 Molecular Formula: C8H7Cl2NO2 Molecular Weight (g/mol): 220.05 MDL Number: MFCD00126402 InChI Key: FRSRGACXHCLBTC-UHFFFAOYSA-N Synonym: methyl 3,5-dichlorophenyl carbamate,methyl n-3,5-dichlorophenyl carbamate,mdpc,methyl 3,5-dichlorocarbanilate,3,5-dichlorocarbanilic acid methyl ester,carbamic acid, 3,5-dichlorophenyl-, methyl ester 9ci,carbanilic acid, 3,5-dichloro-, methyl ester,n-3,5-dichlorophenyl methoxycarboxamide,maybridge1_000169 PubChem CID: 32842 IUPAC Name: methyl N-(3,5-dichlorophenyl)carbamate SMILES: COC(=O)NC1=CC(Cl)=CC(Cl)=C1

PubChem CID 32842
CAS 25217-43-0
Molecular Weight (g/mol) 220.05
MDL Number MFCD00126402
SMILES COC(=O)NC1=CC(Cl)=CC(Cl)=C1
Synonym methyl 3,5-dichlorophenyl carbamate,methyl n-3,5-dichlorophenyl carbamate,mdpc,methyl 3,5-dichlorocarbanilate,3,5-dichlorocarbanilic acid methyl ester,carbamic acid, 3,5-dichlorophenyl-, methyl ester 9ci,carbanilic acid, 3,5-dichloro-, methyl ester,n-3,5-dichlorophenyl methoxycarboxamide,maybridge1_000169
IUPAC Name methyl N-(3,5-dichlorophenyl)carbamate
InChI Key FRSRGACXHCLBTC-UHFFFAOYSA-N
Molecular Formula C8H7Cl2NO2
8

1-(3-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 97%, Thermo Scientific™

CAS: 414885-80-6 Molecular Formula: C13H19BrN2 Molecular Weight (g/mol): 283.21 MDL Number: MFCD00811036 InChI Key: XUIRKBKKWOVRIJ-UHFFFAOYSA-N Synonym: 1-3-bromobenzyl-4-methylperhydro-1,4-diazepine,1-3-bromophenyl methyl-4-methyl-1,4-diazepane,1-3-bromobenzyl-4-methylhomopiperazine,1h-1,4-diazepine,1-3-bromophenyl methyl hexahydro-4-methyl,1-3-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5266396 PubChem CID: 764720 IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane SMILES: CN1CCCN(CC2=CC(Br)=CC=C2)CC1

PubChem CID 764720
CAS 414885-80-6
Molecular Weight (g/mol) 283.21
MDL Number MFCD00811036
SMILES CN1CCCN(CC2=CC(Br)=CC=C2)CC1
Synonym 1-3-bromobenzyl-4-methylperhydro-1,4-diazepine,1-3-bromophenyl methyl-4-methyl-1,4-diazepane,1-3-bromobenzyl-4-methylhomopiperazine,1h-1,4-diazepine,1-3-bromophenyl methyl hexahydro-4-methyl,1-3-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5266396
IUPAC Name 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane
InChI Key XUIRKBKKWOVRIJ-UHFFFAOYSA-N
Molecular Formula C13H19BrN2
9

[1-(Phenylsulfonyl)-1H-indol-2-yl]methanol, ≥97%, Thermo Scientific™

CAS: 73282-11-8 Molecular Formula: C15H13NO3S Molecular Weight (g/mol): 287.33 MDL Number: MFCD03086093 InChI Key: LRYLVFIUTJMZBY-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indol-2-yl methanol,1-benzenesulfonyl indol-2-yl methanol,1-phenylsulfonyl-1h-indole-2-methanol,1h-indole-2-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-2-yl methanol PubChem CID: 2776227 SMILES: OCC1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1

PubChem CID 2776227
CAS 73282-11-8
Molecular Weight (g/mol) 287.33
MDL Number MFCD03086093
SMILES OCC1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1
Synonym 1-phenylsulfonyl-1h-indol-2-yl methanol,1-benzenesulfonyl indol-2-yl methanol,1-phenylsulfonyl-1h-indole-2-methanol,1h-indole-2-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-2-yl methanol
InChI Key LRYLVFIUTJMZBY-UHFFFAOYSA-N
Molecular Formula C15H13NO3S
10

3-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]benzonitrile, 97%, Thermo Scientific™

CAS: 910036-91-8 Molecular Formula: C14H19N3 Molecular Weight (g/mol): 229.327 MDL Number: MFCD09702379 InChI Key: WCQJGGDNUFLTPA-UHFFFAOYSA-N Synonym: 3-4-methylhomopiperazin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazepan-1-yl methyl benzonitrile,3-4-methylperhydro-1,4-diazepin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazaperhydroepinyl methyl benzenecarbonitrile,benzonitrile,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl PubChem CID: 24229556 IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile SMILES: CN1CCCN(CC1)CC2=CC=CC(=C2)C#N

PubChem CID 24229556
CAS 910036-91-8
Molecular Weight (g/mol) 229.327
MDL Number MFCD09702379
SMILES CN1CCCN(CC1)CC2=CC=CC(=C2)C#N
Synonym 3-4-methylhomopiperazin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazepan-1-yl methyl benzonitrile,3-4-methylperhydro-1,4-diazepin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazaperhydroepinyl methyl benzenecarbonitrile,benzonitrile,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl
IUPAC Name 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
InChI Key WCQJGGDNUFLTPA-UHFFFAOYSA-N
Molecular Formula C14H19N3
11

N-[3-(2-Furyl)benzyl]-N-methylamine, ≥97%, Thermo Scientific™

CAS: 857284-27-6 Molecular Formula: C12H13NO Molecular Weight (g/mol): 187.242 MDL Number: MFCD08435877 InChI Key: WMCXJYGZLCREMM-UHFFFAOYSA-N Synonym: n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl PubChem CID: 18525790 IUPAC Name: 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine SMILES: CNCC1=CC=CC(=C1)C2=CC=CO2

PubChem CID 18525790
CAS 857284-27-6
Molecular Weight (g/mol) 187.242
MDL Number MFCD08435877
SMILES CNCC1=CC=CC(=C1)C2=CC=CO2
Synonym n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl
IUPAC Name 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine
InChI Key WMCXJYGZLCREMM-UHFFFAOYSA-N
Molecular Formula C12H13NO
12

5-[2-Chloro-4-(trifluoromethyl)phenyl]-2-furaldehyde, 95%, Thermo Scientific™

CAS: 306936-04-9 Molecular Formula: C12H6ClF3O2 Molecular Weight (g/mol): 274.623 MDL Number: MFCD01571128 InChI Key: SAEPEPVLSICNRE-UHFFFAOYSA-N Synonym: 5-2-chloro-4-trifluoromethyl phenyl-2-furaldehyde,5-2-chloro-4-trifluoromethyl phenyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-chloro-4-trifluoromethyl phenyl PubChem CID: 2781786 IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O

PubChem CID 2781786
CAS 306936-04-9
Molecular Weight (g/mol) 274.623
MDL Number MFCD01571128
SMILES C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O
Synonym 5-2-chloro-4-trifluoromethyl phenyl-2-furaldehyde,5-2-chloro-4-trifluoromethyl phenyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-chloro-4-trifluoromethyl phenyl
IUPAC Name 5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde
InChI Key SAEPEPVLSICNRE-UHFFFAOYSA-N
Molecular Formula C12H6ClF3O2
13

2-(Morpholinosulfonyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 862500-24-1 Molecular Formula: C11H13NO4S Molecular Weight (g/mol): 255.288 MDL Number: MFCD09817561 InChI Key: GSDGTTZDQFKUBA-UHFFFAOYSA-N Synonym: 2-morpholinosulfonyl benzaldehyde,2-morpholine-4-sulfonyl benzaldehyde,2-morpholin-4-ylsulfonyl benzaldehyde,2-morpholin-4-ylsulphonyl benzaldehyde,benzaldehyde,2-4-morpholinylsulfonyl PubChem CID: 24229770 IUPAC Name: 2-morpholin-4-ylsulfonylbenzaldehyde SMILES: C1COCCN1S(=O)(=O)C2=CC=CC=C2C=O

PubChem CID 24229770
CAS 862500-24-1
Molecular Weight (g/mol) 255.288
MDL Number MFCD09817561
SMILES C1COCCN1S(=O)(=O)C2=CC=CC=C2C=O
Synonym 2-morpholinosulfonyl benzaldehyde,2-morpholine-4-sulfonyl benzaldehyde,2-morpholin-4-ylsulfonyl benzaldehyde,2-morpholin-4-ylsulphonyl benzaldehyde,benzaldehyde,2-4-morpholinylsulfonyl
IUPAC Name 2-morpholin-4-ylsulfonylbenzaldehyde
InChI Key GSDGTTZDQFKUBA-UHFFFAOYSA-N
Molecular Formula C11H13NO4S
14

Ethyl 3-[(6-methylpyrazin-2-yl)oxy]benzoate, 97%, Thermo Scientific™

CAS: 906352-99-6 Molecular Formula: C14H14N2O3 Molecular Weight (g/mol): 258.28 MDL Number: MFCD09702407 InChI Key: ALDBUDYDJSLBJO-UHFFFAOYSA-N Synonym: ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester PubChem CID: 24229683 IUPAC Name: ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate SMILES: CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1

PubChem CID 24229683
CAS 906352-99-6
Molecular Weight (g/mol) 258.28
MDL Number MFCD09702407
SMILES CCOC(=O)C1=CC(OC2=NC(C)=CN=C2)=CC=C1
Synonym ethyl 3-6-methylpyrazin-2-yl oxy benzoate,ethyl 3-6-methylpyrazin-2-yloxy benzoate,benzoic acid,3-6-methyl-2-pyrazinyl oxy-,ethyl ester
IUPAC Name ethyl 3-(6-methylpyrazin-2-yl)oxybenzoate
InChI Key ALDBUDYDJSLBJO-UHFFFAOYSA-N
Molecular Formula C14H14N2O3
15

2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 906352-62-3 Molecular Formula: C10H9N3O Molecular Weight (g/mol): 187.202 MDL Number: MFCD09025843 InChI Key: XPXZXSFDTOZFQQ-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1h-1,2,4-triazol-1-yl methyl benzaldehyde,2-1,2,4-triazolylmethyl benzaldehyde PubChem CID: 18525815 IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)benzaldehyde SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)C=O

PubChem CID 18525815
CAS 906352-62-3
Molecular Weight (g/mol) 187.202
MDL Number MFCD09025843
SMILES C1=CC=C(C(=C1)CN2C=NC=N2)C=O
Synonym 2-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1h-1,2,4-triazol-1-yl methyl benzaldehyde,2-1,2,4-triazolylmethyl benzaldehyde
IUPAC Name 2-(1,2,4-triazol-1-ylmethyl)benzaldehyde
InChI Key XPXZXSFDTOZFQQ-UHFFFAOYSA-N
Molecular Formula C10H9N3O