2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine

C17H17F2NO2 — CID 68963205

IUPAC2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3cc(F)ccc3F)c1)OC(CCN)C2
InChIInChI=1S/C17H17F2NO2/c1-21-13-7-10-6-12(4-5-20)22-17(10)15(9-13)14-8-11(18)2-3-16(14)19/h2-3,7-9,12H,4-6,20H2,1H3
InChIKeyJUKFNQDKHOKPDP-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.29
Rot. Bonds4

About 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine

2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 68963205) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID68963205
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3cc(F)ccc3F)c1)OC(CCN)C2
InChIInChI=1S/C17H17F2NO2/c1-21-13-7-10-6-12(4-5-20)22-17(10)15(9-13)14-8-11(18)2-3-16(14)19/h2-3,7-9,12H,4-6,20H2,1H3
InChIKeyJUKFNQDKHOKPDP-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine 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-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 68963205) is 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is COc1cc2c(c(-c3cc(F)ccc3F)c1)OC(CCN)C2.
What is the InChIKey of 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is JUKFNQDKHOKPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-21-13-7-10-6-12(4-5-20)22-17(10)15(9-13)14-8-11(18)2-3-16(14)19/h2-3,7-9,12H,4-6,20H2,1H3.
What are the key properties of 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 305.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,5-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 68963205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).