(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine

C15H14BrF2NO — CID 115369006

IUPAC(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-8-5-11(13(18)7-12(8)17)15(19)10-4-3-9(16)6-14(10)20-2/h3-7,15H,19H2,1-2H3
InChIKeyLCYXKHSPOYZCJO-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.09
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine

(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 115369006) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID115369006
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H14BrF2NO/c1-8-5-11(13(18)7-12(8)17)15(19)10-4-3-9(16)6-14(10)20-2/h3-7,15H,19H2,1-2H3
InChIKeyLCYXKHSPOYZCJO-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

(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 114906146
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 115369006) is (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine is COc1cc(Br)ccc1C(N)c1cc(C)c(F)cc1F.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is LCYXKHSPOYZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-8-5-11(13(18)7-12(8)17)15(19)10-4-3-9(16)6-14(10)20-2/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-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 (4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 115369006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).