(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C15H15F3N2 — CID 105140396

IUPAC(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1ccc(C(N)c2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C15H15F3N2/c1-9-3-4-11(7-10(9)2)14(19)13-6-5-12(8-20-13)15(16,17)18/h3-8,14H,19H2,1-2H3
InChIKeyVSUOXQXZNSQSIH-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.77
Rot. Bonds2

About (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105140396) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105140396
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1ccc(C(N)c2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C15H15F3N2/c1-9-3-4-11(7-10(9)2)14(19)13-6-5-12(8-20-13)15(16,17)18/h3-8,14H,19H2,1-2H3
InChIKeyVSUOXQXZNSQSIH-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 107561604
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105140357
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
(3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 55256587
[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
CID 105103565
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
[(5-fluoro-2-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105302169
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105140396) is (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is Cc1ccc(C(N)c2ccc(C(F)(F)F)cn2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is VSUOXQXZNSQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-9-3-4-11(7-10(9)2)14(19)13-6-5-12(8-20-13)15(16,17)18/h3-8,14H,19H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 280.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105140396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).