6-methyl-3-propylquinolin-2-amine

• ChemBase ID: 805071
• Molecular Formular: C13H16N2
• Molecular Mass: 200.27954
• Monoisotopic Mass: 200.13134852
• SMILES: c1cc2c(cc1C)cc(c(n2)N)CCC
• Canonical SMILES: CCCc1cc2cc(C)ccc2nc1N
• InChI: InChI=1S/C13H16N2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h5-8H,3-4H2,1-2H3,(H2,14,15)
• InChIKey: VMTSKZRLXVCXQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3-propylquinolin-2-amine
• IUPAC Traditional name: 6-methyl-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-6-METHYL-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7273502
• LogD (pH = 7.4): 3.7452939
• Log P: 3.8124123
• Molar Refractivity: 64.2776 cm^3
• Polarizability: 25.37874 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%