1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine

C16H14FNO2 — CID 105043970

IUPAC1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc3ccccc3o2)ccc1F
InChIInChI=1S/C16H14FNO2/c1-19-14-9-11(6-7-12(14)17)16(18)15-8-10-4-2-3-5-13(10)20-15/h2-9,16H,18H2,1H3
InChIKeyQTNLSDDEKIJGDO-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.63
Rot. Bonds3

About 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine

1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105043970) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID105043970
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc3ccccc3o2)ccc1F
InChIInChI=1S/C16H14FNO2/c1-19-14-9-11(6-7-12(14)17)16(18)15-8-10-4-2-3-5-13(10)20-15/h2-9,16H,18H2,1H3
InChIKeyQTNLSDDEKIJGDO-UHFFFAOYSA-N
XLogP3.63
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105046046
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 105046236
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzothiophen-7-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105021772

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine (CID 105043970) is 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2cc3ccccc3o2)ccc1F.
What is the InChIKey of 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is QTNLSDDEKIJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-19-14-9-11(6-7-12(14)17)16(18)15-8-10-4-2-3-5-13(10)20-15/h2-9,16H,18H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine?
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 271.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105043970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).