[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine

C16H15BrF3N — CID 63416477

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C16H15BrF3N/c1-9-3-4-10(2)13(7-9)15(21)12-6-5-11(17)8-14(12)16(18,19)20/h3-8,15H,21H2,1-2H3
InChIKeyVJPZCWXSTVXAIK-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.13
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine

[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine (PubChem CID 63416477) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
PubChem CID63416477
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)c2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C16H15BrF3N/c1-9-3-4-10(2)13(7-9)15(21)12-6-5-11(17)8-14(12)16(18,19)20/h3-8,15H,21H2,1-2H3
InChIKeyVJPZCWXSTVXAIK-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
CID 79697276
(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 62690862
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine
CID 116839328
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]-(2,5-dimethylphenyl)methanamine?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine (CID 63416477) is [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)c2ccc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine?
The InChIKey is VJPZCWXSTVXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-9-3-4-10(2)13(7-9)15(21)12-6-5-11(17)8-14(12)16(18,19)20/h3-8,15H,21H2,1-2H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine?
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine has a molecular weight of 358.20 g/mol, XLogP of 5.13, 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]-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 63416477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).