(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C16H13BrFNO — CID 105046089

IUPAC(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cc(Br)ccc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13BrFNO/c1-9-6-11(17)2-4-13(9)16(19)15-8-10-7-12(18)3-5-14(10)20-15/h2-8,16H,19H2,1H3
InChIKeyPGAIUHQMJMZEHH-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.69
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105046089) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105046089
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cc(Br)ccc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13BrFNO/c1-9-6-11(17)2-4-13(9)16(19)15-8-10-7-12(18)3-5-14(10)20-15/h2-8,16H,19H2,1H3
InChIKeyPGAIUHQMJMZEHH-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

1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338683
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 105046089) is (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is Cc1cc(Br)ccc1C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is PGAIUHQMJMZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-9-6-11(17)2-4-13(9)16(19)15-8-10-7-12(18)3-5-14(10)20-15/h2-8,16H,19H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)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 (4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105046089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).