8-ethyl-3-methylquinolin-2-amine

• ChemBase ID: 816071
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: c1c(c2c(cc1)cc(c(n2)N)C)CC
• Canonical SMILES: CCc1cccc2c1nc(N)c(c2)C
• InChI: InChI=1S/C12H14N2/c1-3-9-5-4-6-10-7-8(2)12(13)14-11(9)10/h4-7H,3H2,1-2H3,(H2,13,14)
• InChIKey: FHXDPYQDWKPWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-3-methylquinolin-2-amine
• IUPAC Traditional name: 8-ethyl-3-methylquinolin-2-amine
• Synonyms: 2-AMINO-8-ETHYL-3-METHYLQUINOLINE

Database IDs

• CAS Number: 203506-26-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.373477
• LogD (pH = 7.4): 3.3155956
• Log P: 3.3678434
• Molar Refractivity: 59.6766 cm^3
• Polarizability: 23.533533 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%