(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine

C16H13BrFNO — CID 43149738

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
SMILESCc1c(C(N)c2ccccc2F)oc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFNO/c1-9-12-8-10(17)6-7-14(12)20-16(9)15(19)11-4-2-3-5-13(11)18/h2-8,15H,19H2,1H3
InChIKeyMNUNZYPIULHWFI-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.69
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine (PubChem CID 43149738) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
PubChem CID43149738
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
SMILESCc1c(C(N)c2ccccc2F)oc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFNO/c1-9-12-8-10(17)6-7-14(12)20-16(9)15(19)11-4-2-3-5-13(11)18/h2-8,15H,19H2,1H3
InChIKeyMNUNZYPIULHWFI-UHFFFAOYSA-N
XLogP4.69
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 104653863
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
CID 115827987
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
CID 3088260
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 43149692

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine (CID 43149738) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine is Cc1c(C(N)c2ccccc2F)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine?
The InChIKey is MNUNZYPIULHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-9-12-8-10(17)6-7-14(12)20-16(9)15(19)11-4-2-3-5-13(11)18/h2-8,15H,19H2,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine has a molecular weight of 334.19 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 43149738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).