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

C17H17F2NO2 — CID 68964644

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

2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 68964644) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

• Compound Name: 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
• PubChem CID: 68964644
• Molecular Formula: C17H17F2NO2
• Molecular Weight: 305.32 g/mol
• Exact Mass: 305.12
• IUPAC Name: 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
• SMILES: COc1cc2c(c(-c3cccc(F)c3F)c1)OC(CCN)C2
• InChI: InChI=1S/C17H17F2NO2/c1-21-12-8-10-7-11(5-6-20)22-17(10)14(9-12)13-3-2-4-15(18)16(13)19/h2-4,8-9,11H,5-7,20H2,1H3
• InChIKey: CODJAEYHXIPENA-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.32
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?

The IUPAC name of 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 68964644) is 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

What is the SMILES notation for 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?

The canonical SMILES for 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is COc1cc2c(c(-c3cccc(F)c3F)c1)OC(CCN)C2.

What is the InChIKey of 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?

The InChIKey is CODJAEYHXIPENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-21-12-8-10-7-11(5-6-20)22-17(10)14(9-12)13-3-2-4-15(18)16(13)19/h2-4,8-9,11H,5-7,20H2,1H3.

What are the key properties of 2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?

2-[7-(2,3-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-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 68964644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).