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

C15H13BrF3N — CID 115853868

IUPAC(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(N)c2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C15H13BrF3N/c1-9-6-7-10(8-13(9)16)14(20)11-4-2-3-5-12(11)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyOTPIWFLPYLQPEA-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.82
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115853868) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115853868
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(N)c2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C15H13BrF3N/c1-9-6-7-10(8-13(9)16)14(20)11-4-2-3-5-12(11)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyOTPIWFLPYLQPEA-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853844
(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130189
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43197636
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43115595
(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107560543
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine (CID 115853868) is (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine is Cc1ccc(C(N)c2ccccc2C(F)(F)F)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is OTPIWFLPYLQPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-9-6-7-10(8-13(9)16)14(20)11-4-2-3-5-12(11)15(17,18)19/h2-8,14H,20H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 344.17 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115853868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).