2-methyl-6-(trifluoromethyl)quinolin-4-amine

• ChemBase ID: 805172
• Molecular Formular: C11H9F3N2
• Molecular Mass: 226.1977696
• Monoisotopic Mass: 226.07178296
• SMILES: c1cc2c(cc1C(F)(F)F)c(cc(n2)C)N
• Canonical SMILES: Cc1cc(N)c2c(n1)ccc(c2)C(F)(F)F
• InChI: InChI=1S/C11H9F3N2/c1-6-4-9(15)8-5-7(11(12,13)14)2-3-10(8)16-6/h2-5H,1H3,(H2,15,16)
• InChIKey: NSNCJGFDMIRSNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(trifluoromethyl)quinolin-4-amine
• IUPAC Traditional name: 2-methyl-6-(trifluoromethyl)quinolin-4-amine
• Synonyms: 4-AMINO-2-METHYL-6-TRIFLUOROMETHYLQUINOLINE

Database IDs

• CAS Number: 948292-54-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5185948
• LogD (pH = 7.4): 1.0689144
• Log P: 2.3111932
• Molar Refractivity: 55.2449 cm^3
• Polarizability: 20.826405 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%