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

C17H17F2NO2 — CID 68964644

IUPAC2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3cccc(F)c3F)c1)OC(CCN)C2
InChIInChI=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
InChIKeyCODJAEYHXIPENA-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.29
Rot. Bonds4

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 Name2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID68964644
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-[7-(2,3-difluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3cccc(F)c3F)c1)OC(CCN)C2
InChIInChI=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
InChIKeyCODJAEYHXIPENA-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

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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).