[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl](propyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 746520
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: C(=C\c1c(OC)cccc1)/CN(Cc1cnccc1)CCC
• Canonical SMILES: CCCN(Cc1cccnc1)C/C=C/c1ccccc1OC
• InChI: InChI=1S/C19H24N2O/c1-3-13-21(16-17-8-6-12-20-15-17)14-7-10-18-9-4-5-11-19(18)22-2/h4-12,15H,3,13-14,16H2,1-2H3/b10-7+
• InChIKey: FFBPBZXJLSGERC-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl](propyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl](propyl)(pyridin-3-ylmethyl)amine
• Synonyms: (2E)-3-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)prop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8876342
• LogD (pH = 7.4): 2.6412961
• Log P: 3.7530181
• Molar Refractivity: 93.1108 cm^3
• Polarizability: 35.842693 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.83
• LOG S: -2.32
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8