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

C15H10BrF2NO — CID 43149566

IUPAC(5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1cc2cc(Br)ccc2o1)c1ccc(F)cc1F
InChIInChI=1S/C15H10BrF2NO/c16-9-1-4-13-8(5-9)6-14(20-13)15(19)11-3-2-10(17)7-12(11)18/h1-7,15H,19H2
InChIKeySJFWKMOTYGDXLI-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.52
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine

(5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine (PubChem CID 43149566) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
PubChem CID43149566
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1cc2cc(Br)ccc2o1)c1ccc(F)cc1F
InChIInChI=1S/C15H10BrF2NO/c16-9-1-4-13-8(5-9)6-14(20-13)15(19)11-3-2-10(17)7-12(11)18/h1-7,15H,19H2
InChIKeySJFWKMOTYGDXLI-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-(1-Benzofuran-2-yl)ethan-1-amine
CID 3164026
(5-Bromobenzo[b]furan-2-yl)methylamine
CID 2795538
(5-Bromo-7-methyl-1-benzofuran-2-yl)methanamine
CID 63216476
(5-Fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 45792463
Benzofuran, 5-bromo-2-(diethylaminomethyl)-3-phenyl-
CID 54589
(1-Benzofuran-2-yl)(phenyl)methanamine hydrochloride
CID 16297685
1-(5-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 18965420
1-(7-Fluoro-1-benzofuran-2-yl)ethan-1-amine
CID 43248591
1-(2-Benzofuryl)-2-(3,3,3-trifluoropropyl)-aminopentane
CID 129651455
(5-Bromo-7-methyl-1-benzofuran-2-yl)methanamine hydrochloride
CID 75481456
(5-Bromo-3-methyl-1-benzofuran-2-yl)methanamine hydrochloride
CID 138991395
1-(5-Fluoro-1-benzofuran-2-yl)methanamine hydrochloride
CID 165880487

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine (CID 43149566) is (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine is NC(c1cc2cc(Br)ccc2o1)c1ccc(F)cc1F.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
The InChIKey is SJFWKMOTYGDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-9-1-4-13-8(5-9)6-14(20-13)15(19)11-3-2-10(17)7-12(11)18/h1-7,15H,19H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(2,4-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 (5-bromo-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 43149566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).