[7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H13ClFNO — CID 68961969

IUPAC[7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2ccc(F)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C15H13ClFNO/c16-12-4-2-1-3-11(12)14-13(17)6-5-9-7-10(8-18)19-15(9)14/h1-6,10H,7-8,18H2
InChIKeyPFJRQCJJIYXWRL-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.41
Rot. Bonds2

About [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 68961969) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID68961969
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name[7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2ccc(F)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C15H13ClFNO/c16-12-4-2-1-3-11(12)14-13(17)6-5-9-7-10(8-18)19-15(9)14/h1-6,10H,7-8,18H2
InChIKeyPFJRQCJJIYXWRL-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-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 [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 68961969) is [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2ccc(F)c(-c3ccccc3Cl)c2O1.
What is the InChIKey of [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is PFJRQCJJIYXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-12-4-2-1-3-11(12)14-13(17)6-5-9-7-10(8-18)19-15(9)14/h1-6,10H,7-8,18H2.
What are the key properties of [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 277.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 68961969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).