(4-fluorophenyl)(quinolin-3-yl)methanamine dihydrochloride

• ChemBase ID: 272429
• Molecular Formular: C16H15Cl2FN2
• Molecular Mass: 325.2081032
• Monoisotopic Mass: 324.05963207
• SMILES: c1(cc2c(nc1)cccc2)C(c1ccc(cc1)F)N.Cl.Cl
• Canonical SMILES: Fc1ccc(cc1)C(c1cnc2c(c1)cccc2)N.Cl.Cl
• InChI: InChI=1S/C16H13FN2.2ClH/c17-14-7-5-11(6-8-14)16(18)13-9-12-3-1-2-4-15(12)19-10-13;;/h1-10,16H,18H2;2*1H
• InChIKey: GLHYYVGBBJYMKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(quinolin-3-yl)methanamine dihydrochloride
• IUPAC Traditional name: (4-fluorophenyl)(quinolin-3-yl)methanamine dihydrochloride
• Synonyms: (4-fluorophenyl)(quinolin-3-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD18380685
• PubChem SID: 164328339
• PubChem CID: 50988395

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3850013
• LogD (pH = 7.4): 1.8921782
• Log P: 3.183611
• Molar Refractivity: 72.9519 cm^3
• Polarizability: 29.587822 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.472

Product Information

• Purity: 95%