(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine

C15H14ClNOS — CID 80644384

IUPAC(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1sccc1Cl
InChIInChI=1S/C15H14ClNOS/c1-2-11-13(9-5-3-4-6-12(9)18-11)14(17)15-10(16)7-8-19-15/h3-8,14H,2,17H2,1H3
InChIKeyJHTNMXHTCIYWCS-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.76
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine

(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine (PubChem CID 80644384) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine
PubChem CID80644384
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1sccc1Cl
InChIInChI=1S/C15H14ClNOS/c1-2-11-13(9-5-3-4-6-12(9)18-11)14(17)15-10(16)7-8-19-15/h3-8,14H,2,17H2,1H3
InChIKeyJHTNMXHTCIYWCS-UHFFFAOYSA-N
XLogP4.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine 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-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine (CID 80644384) is (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine is CCc1oc2ccccc2c1C(N)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The InChIKey is JHTNMXHTCIYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-2-11-13(9-5-3-4-6-12(9)18-11)14(17)15-10(16)7-8-19-15/h3-8,14H,2,17H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine has a molecular weight of 291.80 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 80644384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).