(4-chloro-1-benzofuran-5-yl)methanamine

C9H8ClNO — CID 83817094

IUPAC(4-chloro-1-benzofuran-5-yl)methanamine
SMILESNCc1ccc2occc2c1Cl
InChIInChI=1S/C9H8ClNO/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4H,5,11H2
InChIKeyQXUGQBFIADKYNX-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.54
Rot. Bonds1

About (4-chloro-1-benzofuran-5-yl)methanamine

(4-chloro-1-benzofuran-5-yl)methanamine (PubChem CID 83817094) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-5-yl)methanamine
PubChem CID83817094
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(4-chloro-1-benzofuran-5-yl)methanamine
SMILESNCc1ccc2occc2c1Cl
InChIInChI=1S/C9H8ClNO/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4H,5,11H2
InChIKeyQXUGQBFIADKYNX-UHFFFAOYSA-N
XLogP2.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-1-benzofuran-5-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 (4-chloro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (4-chloro-1-benzofuran-5-yl)methanamine (CID 83817094) is (4-chloro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (4-chloro-1-benzofuran-5-yl)methanamine is NCc1ccc2occc2c1Cl.
What is the InChIKey of (4-chloro-1-benzofuran-5-yl)methanamine?
The InChIKey is QXUGQBFIADKYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4H,5,11H2.
What are the key properties of (4-chloro-1-benzofuran-5-yl)methanamine?
(4-chloro-1-benzofuran-5-yl)methanamine has a molecular weight of 181.62 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 83817094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).