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

C16H13F2NO2 — CID 105046046

IUPAC(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc3cc(F)ccc3o2)ccc1F
InChIInChI=1S/C16H13F2NO2/c1-20-14-7-9(2-4-12(14)18)16(19)15-8-10-6-11(17)3-5-13(10)21-15/h2-8,16H,19H2,1H3
InChIKeyUAWNVZVNVZDPLO-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.77
Rot. Bonds3

About (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine

(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105046046) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
PubChem CID105046046
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2cc3cc(F)ccc3o2)ccc1F
InChIInChI=1S/C16H13F2NO2/c1-20-14-7-9(2-4-12(14)18)16(19)15-8-10-6-11(17)3-5-13(10)21-15/h2-8,16H,19H2,1H3
InChIKeyUAWNVZVNVZDPLO-UHFFFAOYSA-N
XLogP3.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 105046236
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
1,3-benzodioxol-5-yl-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 107699812
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine (CID 105046046) is (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2cc3cc(F)ccc3o2)ccc1F.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is UAWNVZVNVZDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-20-14-7-9(2-4-12(14)18)16(19)15-8-10-6-11(17)3-5-13(10)21-15/h2-8,16H,19H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine?
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 289.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105046046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).