7,8-dimethyl-3-propylquinolin-2-amine

• ChemBase ID: 805074
• Molecular Formular: C14H18N2
• Molecular Mass: 214.30612
• Monoisotopic Mass: 214.14699859
• SMILES: c1(c(c2c(cc1)cc(c(n2)N)CCC)C)C
• Canonical SMILES: CCCc1cc2ccc(c(c2nc1N)C)C
• InChI: InChI=1S/C14H18N2/c1-4-5-12-8-11-7-6-9(2)10(3)13(11)16-14(12)15/h6-8H,4-5H2,1-3H3,(H2,15,16)
• InChIKey: ZCQWKJICDPEVOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethyl-3-propylquinolin-2-amine
• IUPAC Traditional name: 7,8-dimethyl-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-7,8-DIMETHYL-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0425296
• LogD (pH = 7.4): 4.208776
• Log P: 4.3258333
• Molar Refractivity: 69.3188 cm^3
• Polarizability: 27.143143 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%