6-ethyl-3-methylquinolin-2-amine

• ChemBase ID: 816070
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1cc2c(cc1CC)cc(c(n2)N)C
• Canonical SMILES: CCc1ccc2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C12H14N2/c1-3-9-4-5-11-10(7-9)6-8(2)12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: COPGYNHTOKQERN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-3-methylquinolin-2-amine
• IUPAC Traditional name: 6-ethyl-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-6-ETHYL-3-METHYLQUINOLINE

Database IDs

• CAS Number: 203506-22-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.255356
• LogD (pH = 7.4): 3.2954335
• Log P: 3.3678434
• Molar Refractivity: 59.6766 cm^3
• Polarizability: 23.53186 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%