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

C15H13BrF3N — CID 115853844

IUPAC(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Br)ccc1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13BrF3N/c1-9-8-10(16)6-7-11(9)14(20)12-4-2-3-5-13(12)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyVWTHJWUBMUTDHX-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.82
Rot. Bonds2

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

(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115853844) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115853844
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name(4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(Br)ccc1C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13BrF3N/c1-9-8-10(16)6-7-11(9)14(20)12-4-2-3-5-13(12)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyVWTHJWUBMUTDHX-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

(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
[(5-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304800
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
5-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296857
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853945
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880012
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
CID 79697276
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine (CID 115853844) is (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine is Cc1cc(Br)ccc1C(N)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VWTHJWUBMUTDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-9-8-10(16)6-7-11(9)14(20)12-4-2-3-5-13(12)15(17,18)19/h2-8,14H,20H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
(4-bromo-2-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 (4-bromo-2-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).