8-ethyl-2-methylquinolin-4-amine

• ChemBase ID: 805194
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1c(c2c(cc1)c(cc(n2)C)N)CC
• Canonical SMILES: CCc1cccc2c1nc(C)cc2N
• InChI: InChI=1S/C12H14N2/c1-3-9-5-4-6-10-11(13)7-8(2)14-12(9)10/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: ULGBQMQLJUEBRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-2-methylquinolin-4-amine
• IUPAC Traditional name: 8-ethyl-2-methylquinolin-4-amine
• Synonyms: 4-AMINO-8-ETHYL-2-METHYLQUINOLINE

Database IDs

• CAS Number: 948293-61-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59805346
• LogD (pH = 7.4): 1.1347816
• Log P: 2.3913348
• Molar Refractivity: 58.9134 cm^3
• Polarizability: 23.531876 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%