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

C15H13BrF3N — CID 115850757

IUPAC(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(Br)c(C(N)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13BrF3N/c1-9-5-6-13(16)12(7-9)14(20)10-3-2-4-11(8-10)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyGPSYHLRIRVHLTN-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.82
Rot. Bonds2

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

(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115850757) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID115850757
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(Br)c(C(N)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13BrF3N/c1-9-5-6-13(16)12(7-9)14(20)10-3-2-4-11(8-10)15(17,18)19/h2-8,14H,20H2,1H3
InChIKeyGPSYHLRIRVHLTN-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

(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
CID 45282000
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
[(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193884

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 115850757) is (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine is Cc1ccc(Br)c(C(N)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GPSYHLRIRVHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-9-5-6-13(16)12(7-9)14(20)10-3-2-4-11(8-10)15(17,18)19/h2-8,14H,20H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(2-bromo-5-methylphenyl)-[3-(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 (2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115850757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).