4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine

C13H16FNO — CID 22144784

IUPAC4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine
SMILESCC(N)CC(C)c1cc(F)cc2ccoc12
InChIInChI=1S/C13H16FNO/c1-8(5-9(2)15)12-7-11(14)6-10-3-4-16-13(10)12/h3-4,6-9H,5,15H2,1-2H3
InChIKeyDVDQMNLOPHBFOE-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.41
Rot. Bonds3

About 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine

4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine (PubChem CID 22144784) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine
PubChem CID22144784
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine
SMILESCC(N)CC(C)c1cc(F)cc2ccoc12
InChIInChI=1S/C13H16FNO/c1-8(5-9(2)15)12-7-11(14)6-10-3-4-16-13(10)12/h3-4,6-9H,5,15H2,1-2H3
InChIKeyDVDQMNLOPHBFOE-UHFFFAOYSA-N
XLogP3.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-fluoro-1-benzofuran-7-yl)pentan-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 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine?
The IUPAC name of 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine (CID 22144784) is 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine is CC(N)CC(C)c1cc(F)cc2ccoc12.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine?
The InChIKey is DVDQMNLOPHBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-8(5-9(2)15)12-7-11(14)6-10-3-4-16-13(10)12/h3-4,6-9H,5,15H2,1-2H3.
What are the key properties of 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine?
4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-7-yl)pentan-2-amine is sourced from PubChem (CID 22144784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).