[2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine

C17H16FNO2 — CID 152512487

IUPAC[2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
SMILESCOCc1cc2cccc(-c3cccc(CN)c3F)c2o1
InChIInChI=1S/C17H16FNO2/c1-20-10-13-8-11-4-2-7-15(17(11)21-13)14-6-3-5-12(9-19)16(14)18/h2-8H,9-10,19H2,1H3
InChIKeyYFUNQSHLKUKULU-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.84
Rot. Bonds4

About [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine

[2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine (PubChem CID 152512487) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
PubChem CID152512487
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
SMILESCOCc1cc2cccc(-c3cccc(CN)c3F)c2o1
InChIInChI=1S/C17H16FNO2/c1-20-10-13-8-11-4-2-7-15(17(11)21-13)14-6-3-5-12(9-19)16(14)18/h2-8H,9-10,19H2,1H3
InChIKeyYFUNQSHLKUKULU-UHFFFAOYSA-N
XLogP3.84
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]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 [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine (CID 152512487) is [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine is COCc1cc2cccc(-c3cccc(CN)c3F)c2o1.
What is the InChIKey of [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine?
The InChIKey is YFUNQSHLKUKULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-20-10-13-8-11-4-2-7-15(17(11)21-13)14-6-3-5-12(9-19)16(14)18/h2-8H,9-10,19H2,1H3.
What are the key properties of [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine?
[2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[2-(methoxymethyl)-1-benzofuran-7-yl]phenyl]methanamine is sourced from PubChem (CID 152512487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).