7-fluoro-3-propylquinolin-2-amine

• ChemBase ID: 805083
• Molecular Formular: C12H13FN2
• Molecular Mass: 204.2434232
• Monoisotopic Mass: 204.10627665
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CCC)F
• Canonical SMILES: CCCc1cc2ccc(cc2nc1N)F
• InChI: InChI=1S/C12H13FN2/c1-2-3-9-6-8-4-5-10(13)7-11(8)15-12(9)14/h4-7H,2-3H2,1H3,(H2,14,15)
• InChIKey: JNMWKIHZYKBJGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-3-propylquinolin-2-amine
• IUPAC Traditional name: 7-fluoro-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-7-FLUORO-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8845077
• LogD (pH = 7.4): 3.427134
• Log P: 3.4416926
• Molar Refractivity: 59.4528 cm^3
• Polarizability: 23.175013 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%