6-ethyl-2-methylquinolin-4-amine

• ChemBase ID: 805185
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1cc2c(cc1CC)c(cc(n2)C)N
• Canonical SMILES: CCc1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C12H14N2/c1-3-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: JOIAGNLOWNFMRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-methylquinolin-4-amine
• IUPAC Traditional name: 6-ethyl-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-6-ETHYL-2-METHYLQUINOLINE

Database IDs

• CAS Number: 948293-17-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5955183
• LogD (pH = 7.4): 1.0769261
• Log P: 2.3913348
• Molar Refractivity: 58.9134 cm^3
• Polarizability: 23.530207 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%