2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine

C11H12FNO — CID 117283511

IUPAC2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
SMILESCC(CN)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H12FNO/c1-7(6-13)10-9(12)3-2-8-4-5-14-11(8)10/h2-5,7H,6,13H2,1H3
InChIKeyVPUXRHSWQWVZSX-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.63
Rot. Bonds2

About 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine

2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine (PubChem CID 117283511) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
PubChem CID117283511
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
SMILESCC(CN)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H12FNO/c1-7(6-13)10-9(12)3-2-8-4-5-14-11(8)10/h2-5,7H,6,13H2,1H3
InChIKeyVPUXRHSWQWVZSX-UHFFFAOYSA-N
XLogP2.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319085
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
bis[2-amino-1-(6-fluoro-1-benzofuran-7-yl)propyl] oxalate
CID 57122066
methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117321227
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
2-(8-methylfuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 117330543
8-(1-aminopropan-2-yl)furo[2,3-f][1]benzofuran-4-ol
CID 117333899
7-bromo-6-fluoro-1-benzofuran
CID 22144929
(6-fluoro-1-benzofuran-7-yl)methanol
CID 117276362
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine?
The IUPAC name of 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine (CID 117283511) is 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine.
What is the SMILES notation for 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine?
The canonical SMILES for 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine is CC(CN)c1c(F)ccc2ccoc12.
What is the InChIKey of 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine?
The InChIKey is VPUXRHSWQWVZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7(6-13)10-9(12)3-2-8-4-5-14-11(8)10/h2-5,7H,6,13H2,1H3.
What are the key properties of 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine?
2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine has a molecular weight of 193.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine is sourced from PubChem (CID 117283511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).