3-ethyl-7,8-dimethylquinolin-2-amine

• ChemBase ID: 805072
• Molecular Formular: C13H16N2
• Molecular Mass: 200.27954
• Monoisotopic Mass: 200.13134852
• SMILES: c1(c(c2c(cc1)cc(c(n2)N)CC)C)C
• Canonical SMILES: CCc1cc2ccc(c(c2nc1N)C)C
• InChI: InChI=1S/C13H16N2/c1-4-10-7-11-6-5-8(2)9(3)12(11)15-13(10)14/h5-7H,4H2,1-3H3,(H2,14,15)
• InChIKey: BGULAJXVBSPLPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-7,8-dimethylquinolin-2-amine
• IUPAC Traditional name: 3-ethyl-7,8-dimethylquinolin-2-amine
• Synonyms: 2-AMINO-7,8-DIMETHYL-3-ETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.592126
• LogD (pH = 7.4): 3.7622252
• Log P: 3.881265
• Molar Refractivity: 64.7178 cm^3
• Polarizability: 25.296307 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%