N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine

C19H18ClNS — CID 142192555

IUPACN-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine
SMILESCc1sc(-c2ccccc2)cc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNS/c1-14-18(12-19(22-14)16-6-4-3-5-7-16)21(2)13-15-8-10-17(20)11-9-15/h3-12H,13H2,1-2H3
InChIKeyALBHBVPTQITDPD-UHFFFAOYSA-N
MW327.88 g/mol
LogP6.01
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine

N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine (PubChem CID 142192555) has the molecular formula C19H18ClNS and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine
PubChem CID142192555
Molecular FormulaC19H18ClNS
Molecular Weight327.88 g/mol
Exact Mass327.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine
SMILESCc1sc(-c2ccccc2)cc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNS/c1-14-18(12-19(22-14)16-6-4-3-5-7-16)21(2)13-15-8-10-17(20)11-9-15/h3-12H,13H2,1-2H3
InChIKeyALBHBVPTQITDPD-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.88
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide
CID 142192442
N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide;formic acid
CID 142192441
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
[3-[(4-chlorophenyl)methyl-(3-methylbutanoyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800429
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
2-[benzyl(methyl)amino]-4-chlorobenzonitrile
CID 55180617
5-chloro-2-[(4-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513125
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine
CID 103590061
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine (CID 142192555) is N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine is Cc1sc(-c2ccccc2)cc1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine?
The InChIKey is ALBHBVPTQITDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNS/c1-14-18(12-19(22-14)16-6-4-3-5-7-16)21(2)13-15-8-10-17(20)11-9-15/h3-12H,13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine?
N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine has a molecular weight of 327.88 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine is sourced from PubChem (CID 142192555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).