2-(5-chlorothiophen-2-yl)ethanamine

C6H8ClNS — CID 12968025

IUPAC2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCCc1ccc(Cl)s1
InChIInChI=1S/C6H8ClNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2
InChIKeyPWABEWHMMLQLSO-UHFFFAOYSA-N
MW161.66 g/mol
LogP1.90
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 12968025) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID12968025
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name2-(5-chlorothiophen-2-yl)ethanamine
SMILESNCCc1ccc(Cl)s1
InChIInChI=1S/C6H8ClNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2
InChIKeyPWABEWHMMLQLSO-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chlorothiophen-2-yl)ethanamine 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

Thiopheneethanamine
CID 116521
1-(4,5-Dichlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 71401263
2-(Thiophen-2-yl)ethan-1-amine Hydroiodide
CID 171935015
2-(5-Methyl-2-thienyl)ethanamine
CID 14788189
1-(4-Chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 46227246
1-(5-Chlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 90673409
1-(3,5-Dichlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 90673412
Ethylamine, 1-(5-chloro-2-thenyl)-, hydrochloride
CID 49889
1-(3-Chlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 49891
1-(4-Chlorothiophen-2-yl)propan-2-amine--hydrogen chloride (1/1)
CID 49893
Ethylamine, 1-(4,5-dichloro-2-thenyl)-, hydrochloride
CID 49897
Ethylamine, 1-(3,5-dichloro-2-thenyl)-, hydrochloride
CID 49899

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)ethanamine (CID 12968025) is 2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)ethanamine is NCCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is PWABEWHMMLQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 161.66 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 12968025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).