5-(5-chloro-2-propoxyphenyl)thiophen-2-amine

C13H14ClNOS — CID 163257756

IUPAC5-(5-chloro-2-propoxyphenyl)thiophen-2-amine
SMILESCCCOc1ccc(Cl)cc1-c1ccc(N)s1
InChIInChI=1S/C13H14ClNOS/c1-2-7-16-11-4-3-9(14)8-10(11)12-5-6-13(15)17-12/h3-6,8H,2,7,15H2,1H3
InChIKeyKCLKKJDMRTXFHQ-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.44
Rot. Bonds4

About 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine

5-(5-chloro-2-propoxyphenyl)thiophen-2-amine (PubChem CID 163257756) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-propoxyphenyl)thiophen-2-amine
PubChem CID163257756
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name5-(5-chloro-2-propoxyphenyl)thiophen-2-amine
SMILESCCCOc1ccc(Cl)cc1-c1ccc(N)s1
InChIInChI=1S/C13H14ClNOS/c1-2-7-16-11-4-3-9(14)8-10(11)12-5-6-13(15)17-12/h3-6,8H,2,7,15H2,1H3
InChIKeyKCLKKJDMRTXFHQ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(5-chloro-2-propoxyphenyl)thiophen-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 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine?
The IUPAC name of 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine (CID 163257756) is 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine.
What is the SMILES notation for 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine?
The canonical SMILES for 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine is CCCOc1ccc(Cl)cc1-c1ccc(N)s1.
What is the InChIKey of 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine?
The InChIKey is KCLKKJDMRTXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-2-7-16-11-4-3-9(14)8-10(11)12-5-6-13(15)17-12/h3-6,8H,2,7,15H2,1H3.
What are the key properties of 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine?
5-(5-chloro-2-propoxyphenyl)thiophen-2-amine has a molecular weight of 267.78 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-propoxyphenyl)thiophen-2-amine is sourced from PubChem (CID 163257756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).