(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine

C15H14BrF2NO — CID 82814873

IUPAC(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H14BrF2NO/c1-8-3-5-11(17)13(14(8)18)15(19)10-7-9(16)4-6-12(10)20-2/h3-7,15H,19H2,1-2H3
InChIKeyAHBMFRYQAPGCCW-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.09
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine

(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 82814873) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID82814873
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCOc1ccc(Br)cc1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H14BrF2NO/c1-8-3-5-11(17)13(14(8)18)15(19)10-7-9(16)4-6-12(10)20-2/h3-7,15H,19H2,1-2H3
InChIKeyAHBMFRYQAPGCCW-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 106944890
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(3-bromo-2,6-difluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 106943162
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine (CID 82814873) is (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine is COc1ccc(Br)cc1C(N)c1c(F)ccc(C)c1F.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is AHBMFRYQAPGCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-8-3-5-11(17)13(14(8)18)15(19)10-7-9(16)4-6-12(10)20-2/h3-7,15H,19H2,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 342.18 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 82814873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).