3,8-diethylquinolin-2-amine

• ChemBase ID: 805029
• Molecular Formular: C13H16N2
• Molecular Mass: 200.27954
• Monoisotopic Mass: 200.13134852
• SMILES: c1c(c2c(cc1)cc(c(n2)N)CC)CC
• Canonical SMILES: CCc1cc2cccc(c2nc1N)CC
• InChI: InChI=1S/C13H16N2/c1-3-9-6-5-7-11-8-10(4-2)13(14)15-12(9)11/h5-8H,3-4H2,1-2H3,(H2,14,15)
• InChIKey: WKCOWLLZBGOAKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,8-diethylquinolin-2-amine
• IUPAC Traditional name: 3,8-diethylquinolin-2-amine
• Synonyms: 2-AMINO-3,8-DIETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8513365
• LogD (pH = 7.4): 3.764761
• Log P: 3.8124123
• Molar Refractivity: 64.2776 cm^3
• Polarizability: 25.37977 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%