(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](pyridin-2-ylmethyl)amine

• ChemBase ID: 452814
• Molecular Formular: C18H22N2O
• Molecular Mass: 282.38008
• Monoisotopic Mass: 282.17321333
• SMILES: C(=C\c1ccccc1)/CN(Cc1ncccc1)CCOC
• Canonical SMILES: COCCN(Cc1ccccn1)C/C=C/c1ccccc1
• InChI: InChI=1S/C18H22N2O/c1-21-15-14-20(16-18-11-5-6-12-19-18)13-7-10-17-8-3-2-4-9-17/h2-12H,13-16H2,1H3/b10-7+
• InChIKey: OVTIETYEXRZYEN-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](pyridin-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl](pyridin-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.670146
• LogD (pH = 7.4): 2.950851
• Log P: 3.0658553
• Molar Refractivity: 87.8963 cm^3
• Polarizability: 34.012756 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: 2.96
• LOG S: -1.48
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 8