methyl({2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methyl)[1-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 566485
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N(Cc1c(OCC(=C)C)cccc1)(C(c1ncccc1)C)C
• Canonical SMILES: CC(=C)COc1ccccc1CN(C(c1ccccn1)C)C
• InChI: InChI=1S/C19H24N2O/c1-15(2)14-22-19-11-6-5-9-17(19)13-21(4)16(3)18-10-7-8-12-20-18/h5-12,16H,1,13-14H2,2-4H3
• InChIKey: BIIOKAKPXFESTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methyl)[1-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: methyl({2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methyl)[1-(pyridin-2-yl)ethyl]amine
• Synonyms: N-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]benzyl}-1-pyridin-2-ylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5270548
• LogD (pH = 7.4): 3.7817287
• Log P: 3.8886192
• Molar Refractivity: 90.936 cm^3
• Polarizability: 35.762115 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.65
• LOG S: -2.17
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7