3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine

C14H16ClNO — CID 114733656

IUPAC3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine
SMILESCC1(c2cc3cccc(Cl)c3o2)CCC(N)C1
InChIInChI=1S/C14H16ClNO/c1-14(6-5-10(16)8-14)12-7-9-3-2-4-11(15)13(9)17-12/h2-4,7,10H,5-6,8,16H2,1H3
InChIKeyMRFKRWJEPJFBNE-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.86
Rot. Bonds1

About 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine

3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine (PubChem CID 114733656) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine
PubChem CID114733656
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine
SMILESCC1(c2cc3cccc(Cl)c3o2)CCC(N)C1
InChIInChI=1S/C14H16ClNO/c1-14(6-5-10(16)8-14)12-7-9-3-2-4-11(15)13(9)17-12/h2-4,7,10H,5-6,8,16H2,1H3
InChIKeyMRFKRWJEPJFBNE-UHFFFAOYSA-N
XLogP3.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-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-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine (CID 114733656) is 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine is CC1(c2cc3cccc(Cl)c3o2)CCC(N)C1.
What is the InChIKey of 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine?
The InChIKey is MRFKRWJEPJFBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-14(6-5-10(16)8-14)12-7-9-3-2-4-11(15)13(9)17-12/h2-4,7,10H,5-6,8,16H2,1H3.
What are the key properties of 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine?
3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114733656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).