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

C12H13NS — CID 62090283

IUPACN-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H13NS/c1-10(11-7-8-14-9-11)13-12-5-3-2-4-6-12/h2-10,13H,1H3
InChIKeyISTLWCYRLJEAGE-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.92
Rot. Bonds3

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

N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62090283) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)aniline
PubChem CID62090283
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC NameN-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1ccccc1)c1ccsc1
InChIInChI=1S/C12H13NS/c1-10(11-7-8-14-9-11)13-12-5-3-2-4-6-12/h2-10,13H,1H3
InChIKeyISTLWCYRLJEAGE-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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

4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
N-(1-thiophen-3-ylethyl)pyridin-3-amine
CID 62090458
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-(1-thiophen-3-ylethyl)-4-(trifluoromethoxy)aniline
CID 55032953
3-(2-methylpropoxy)-N-(1-thiophen-3-ylethyl)aniline
CID 62091231
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-anilino-2-thiophen-3-ylethanol
CID 61046971
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
N,N-dimethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032863

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of N-(1-thiophen-3-ylethyl)aniline (CID 62090283) is N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for N-(1-thiophen-3-ylethyl)aniline is CC(Nc1ccccc1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is ISTLWCYRLJEAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-10(11-7-8-14-9-11)13-12-5-3-2-4-6-12/h2-10,13H,1H3.
What are the key properties of N-(1-thiophen-3-ylethyl)aniline?
N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62090283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).