3-(4-chlorophenyl)-1-benzothiophen-2-amine

C14H10ClNS — CID 19882335

IUPAC3-(4-chlorophenyl)-1-benzothiophen-2-amine
SMILESNc1sc2ccccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNS/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)17-14(13)16/h1-8H,16H2
InChIKeyAAHLBDMPZXUNPP-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.80
Rot. Bonds1

About 3-(4-chlorophenyl)-1-benzothiophen-2-amine

3-(4-chlorophenyl)-1-benzothiophen-2-amine (PubChem CID 19882335) has the molecular formula C14H10ClNS and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-benzothiophen-2-amine
PubChem CID19882335
Molecular FormulaC14H10ClNS
Molecular Weight259.76 g/mol
Exact Mass259.02
IUPAC Name3-(4-chlorophenyl)-1-benzothiophen-2-amine
SMILESNc1sc2ccccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNS/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)17-14(13)16/h1-8H,16H2
InChIKeyAAHLBDMPZXUNPP-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-1-benzothiophen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-benzothiophen-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-benzothiophen-2-amine (CID 19882335) is 3-(4-chlorophenyl)-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-benzothiophen-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-benzothiophen-2-amine is Nc1sc2ccccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-benzothiophen-2-amine?
The InChIKey is AAHLBDMPZXUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)17-14(13)16/h1-8H,16H2.
What are the key properties of 3-(4-chlorophenyl)-1-benzothiophen-2-amine?
3-(4-chlorophenyl)-1-benzothiophen-2-amine has a molecular weight of 259.76 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-benzothiophen-2-amine is sourced from PubChem (CID 19882335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).