(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine

C15H15BrFN — CID 107130353

IUPAC(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C15H15BrFN/c1-9-3-6-13(16)12(7-9)15(18)11-5-4-10(2)14(17)8-11/h3-8,15H,18H2,1-2H3
InChIKeyXOGJHFTYYGKAHY-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.25
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine

(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 107130353) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID107130353
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C15H15BrFN/c1-9-3-6-13(16)12(7-9)15(18)11-5-4-10(2)14(17)8-11/h3-8,15H,18H2,1-2H3
InChIKeyXOGJHFTYYGKAHY-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 107130353) is (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(Br)c(C(N)c2ccc(C)c(F)c2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is XOGJHFTYYGKAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-9-3-6-13(16)12(7-9)15(18)11-5-4-10(2)14(17)8-11/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 308.19 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107130353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).