4-chloro-N-(1-thiophen-3-ylethyl)aniline

C12H12ClNS — CID 62091709

IUPAC4-chloro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C12H12ClNS/c1-9(10-6-7-15-8-10)14-12-4-2-11(13)3-5-12/h2-9,14H,1H3
InChIKeyOEAZDKMAWHMNMN-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.57
Rot. Bonds3

About 4-chloro-N-(1-thiophen-3-ylethyl)aniline

4-chloro-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62091709) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 4-chloro-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62091709
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name4-chloro-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C12H12ClNS/c1-9(10-6-7-15-8-10)14-12-4-2-11(13)3-5-12/h2-9,14H,1H3
InChIKeyOEAZDKMAWHMNMN-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(1-thiophen-3-ylethyl)aniline 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-(1-thiophen-3-ylethyl)aniline
CID 62090283
2-chloro-1-N,1-N-dimethyl-4-N-(1-thiophen-3-ylethyl)benzene-1,4-diamine
CID 55032721
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
2-fluoro-5-(1-thiophen-3-ylethylamino)benzonitrile
CID 55058157
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089964
N-(1-thiophen-3-ylethyl)pyridin-3-amine
CID 62090458
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-chloro-N-(1-thiophen-3-ylethyl)aniline (CID 62091709) is 4-chloro-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-chloro-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-chloro-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of 4-chloro-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is OEAZDKMAWHMNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-9(10-6-7-15-8-10)14-12-4-2-11(13)3-5-12/h2-9,14H,1H3.
What are the key properties of 4-chloro-N-(1-thiophen-3-ylethyl)aniline?
4-chloro-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 237.76 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62091709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).