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

C15H12BrClF3N — CID 107560241

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Br)cc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H12BrClF3N/c1-8-2-3-9(6-13(8)17)14(21)11-5-4-10(16)7-12(11)15(18,19)20/h2-7,14H,21H2,1H3
InChIKeyOUWPQQCAALNLLZ-UHFFFAOYSA-N
MW378.62 g/mol
LogP5.48
Rot. Bonds2

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

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine (PubChem CID 107560241) has the molecular formula C15H12BrClF3N and a molecular weight of 378.62 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
PubChem CID107560241
Molecular FormulaC15H12BrClF3N
Molecular Weight378.62 g/mol
Exact Mass376.98
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Br)cc2C(F)(F)F)cc1Cl
InChIInChI=1S/C15H12BrClF3N/c1-8-2-3-9(6-13(8)17)14(21)11-5-4-10(16)7-12(11)15(18,19)20/h2-7,14H,21H2,1H3
InChIKeyOUWPQQCAALNLLZ-UHFFFAOYSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 55.48
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
(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107560543
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
CID 79697276
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333351
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine (CID 107560241) is [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(Br)cc2C(F)(F)F)cc1Cl.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine?
The InChIKey is OUWPQQCAALNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF3N/c1-8-2-3-9(6-13(8)17)14(21)11-5-4-10(16)7-12(11)15(18,19)20/h2-7,14H,21H2,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine has a molecular weight of 378.62 g/mol, XLogP of 5.48, 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-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 107560241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).