(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine

C16H13BrFNO2 — CID 105174877

IUPAC(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc3cccc(Br)c3o2)c1F
InChIInChI=1S/C16H13BrFNO2/c1-20-12-7-3-5-10(14(12)18)15(19)13-8-9-4-2-6-11(17)16(9)21-13/h2-8,15H,19H2,1H3
InChIKeyZRYKNNZZAIBENP-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.39
Rot. Bonds3

About (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine

(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 105174877) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID105174877
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cc3cccc(Br)c3o2)c1F
InChIInChI=1S/C16H13BrFNO2/c1-20-12-7-3-5-10(14(12)18)15(19)13-8-9-4-2-6-11(17)16(9)21-13/h2-8,15H,19H2,1H3
InChIKeyZRYKNNZZAIBENP-UHFFFAOYSA-N
XLogP4.39
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(2-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 82793131
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 105174877) is (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cc3cccc(Br)c3o2)c1F.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is ZRYKNNZZAIBENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-20-12-7-3-5-10(14(12)18)15(19)13-8-9-4-2-6-11(17)16(9)21-13/h2-8,15H,19H2,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine?
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine has a molecular weight of 350.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 105174877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).