methyl({1-[4-(quinolin-5-yl)phenyl]propyl})amine

• ChemBase ID: 547135
• Molecular Formular: C19H20N2
• Molecular Mass: 276.3755
• Monoisotopic Mass: 276.16264865
• SMILES: c1(c2c(nccc2)ccc1)c1ccc(cc1)C(NC)CC
• Canonical SMILES: CCC(c1ccc(cc1)c1cccc2c1cccn2)NC
• InChI: InChI=1S/C19H20N2/c1-3-18(20-2)15-11-9-14(10-12-15)16-6-4-8-19-17(16)7-5-13-21-19/h4-13,18,20H,3H2,1-2H3
• InChIKey: SKKSTIMRDLQCFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({1-[4-(quinolin-5-yl)phenyl]propyl})amine
• IUPAC Traditional name: methyl({1-[4-(quinolin-5-yl)phenyl]propyl})amine
• Synonyms: N-methyl-1-(4-quinolin-5-ylphenyl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0384756
• LogD (pH = 7.4): 1.8898631
• Log P: 4.2755723
• Molar Refractivity: 87.3063 cm^3
• Polarizability: 37.081802 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.02
• LOG S: -3.64
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4