[2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine

C16H13F2NO2 — CID 62450373

IUPAC[2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2ccc(F)cc2F)oc2ccccc12
InChIInChI=1S/C16H13F2NO2/c17-10-5-6-15(13(18)7-10)20-9-16-12(8-19)11-3-1-2-4-14(11)21-16/h1-7H,8-9,19H2
InChIKeyXZQBNRXYWWEQIJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.75
Rot. Bonds4

About [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine

[2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62450373) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62450373
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name[2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2ccc(F)cc2F)oc2ccccc12
InChIInChI=1S/C16H13F2NO2/c17-10-5-6-15(13(18)7-10)20-9-16-12(8-19)11-3-1-2-4-14(11)21-16/h1-7H,8-9,19H2
InChIKeyXZQBNRXYWWEQIJ-UHFFFAOYSA-N
XLogP3.75
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(2,4-difluorophenoxy)methyl]-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 [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine (CID 62450373) is [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine is NCc1c(COc2ccc(F)cc2F)oc2ccccc12.
What is the InChIKey of [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is XZQBNRXYWWEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-10-5-6-15(13(18)7-10)20-9-16-12(8-19)11-3-1-2-4-14(11)21-16/h1-7H,8-9,19H2.
What are the key properties of [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 289.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62450373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).