[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine

C15H12BrF4N — CID 79697276

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc(C(N)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H12BrF4N/c1-8-4-9(6-11(17)5-8)14(21)12-3-2-10(16)7-13(12)15(18,19)20/h2-7,14H,21H2,1H3
InChIKeyDRMXVYQXYVUTKK-UHFFFAOYSA-N
MW362.16 g/mol
LogP4.96
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine

[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine (PubChem CID 79697276) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
PubChem CID79697276
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc(C(N)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C15H12BrF4N/c1-8-4-9(6-11(17)5-8)14(21)12-3-2-10(16)7-13(12)15(18,19)20/h2-7,14H,21H2,1H3
InChIKeyDRMXVYQXYVUTKK-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
(4-fluoro-2-iodophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 114030220
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
CID 79574373

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine (CID 79697276) is [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine is Cc1cc(F)cc(C(N)c2ccc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine?
The InChIKey is DRMXVYQXYVUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-8-4-9(6-11(17)5-8)14(21)12-3-2-10(16)7-13(12)15(18,19)20/h2-7,14H,21H2,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine has a molecular weight of 362.16 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 79697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).