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

C15H15F3N2 — CID 102710062

IUPAC(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(C)c(C(N)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-9-3-4-10(2)11(7-9)14(19)12-8-20-6-5-13(12)15(16,17)18/h3-8,14H,19H2,1-2H3
InChIKeyHKCZELDGTLBVNP-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.77
Rot. Bonds2

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

(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102710062) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102710062
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1ccc(C)c(C(N)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2/c1-9-3-4-10(2)11(7-9)14(19)12-8-20-6-5-13(12)15(16,17)18/h3-8,14H,19H2,1-2H3
InChIKeyHKCZELDGTLBVNP-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

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Related Compounds

(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(2-methoxy-5-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710239
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102709995
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102710062) is (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1ccc(C)c(C(N)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is HKCZELDGTLBVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-9-3-4-10(2)11(7-9)14(19)12-8-20-6-5-13(12)15(16,17)18/h3-8,14H,19H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-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 (2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).