1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine

C15H10BrF2NO — CID 105044197

IUPAC1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
SMILESNC(c1cc2ccccc2o1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H10BrF2NO/c16-9-6-10(17)14(11(18)7-9)15(19)13-5-8-3-1-2-4-12(8)20-13/h1-7,15H,19H2
InChIKeyDLHBLLMBKZHQBA-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.52
Rot. Bonds2

About 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine

1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine (PubChem CID 105044197) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
PubChem CID105044197
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
SMILESNC(c1cc2ccccc2o1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H10BrF2NO/c16-9-6-10(17)14(11(18)7-9)15(19)13-5-8-3-1-2-4-12(8)20-13/h1-7,15H,19H2
InChIKeyDLHBLLMBKZHQBA-UHFFFAOYSA-N
XLogP4.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
CID 115836064
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine (CID 105044197) is 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine is NC(c1cc2ccccc2o1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine?
The InChIKey is DLHBLLMBKZHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-9-6-10(17)14(11(18)7-9)15(19)13-5-8-3-1-2-4-12(8)20-13/h1-7,15H,19H2.
What are the key properties of 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine?
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine has a molecular weight of 338.15 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine is sourced from PubChem (CID 105044197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).