3,6-diethylquinolin-2-amine

• ChemBase ID: 805027
• Molecular Formular: C13H16N2
• Molecular Mass: 200.27954
• Monoisotopic Mass: 200.13134852
• SMILES: c1cc2c(cc1CC)cc(c(n2)N)CC
• Canonical SMILES: CCc1ccc2c(c1)cc(c(n2)N)CC
• InChI: InChI=1S/C13H16N2/c1-3-9-5-6-12-11(7-9)8-10(4-2)13(14)15-12/h5-8H,3-4H2,1-2H3,(H2,14,15)
• InChIKey: LUCXYZCASIDCGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-diethylquinolin-2-amine
• IUPAC Traditional name: 3,6-diethylquinolin-2-amine
• Synonyms: 2-AMINO-3,6-DIETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.73259
• LogD (pH = 7.4): 3.746259
• Log P: 3.8124123
• Molar Refractivity: 64.2776 cm^3
• Polarizability: 25.378096 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%