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

• ChemBase ID: 534969
• Molecular Formular: C17H25NO2
• Molecular Mass: 275.3859
• Monoisotopic Mass: 275.18852905
• SMILES: C(=C\c1ccccc1)/CN(CC1COCC1)CCOC
• Canonical SMILES: COCCN(CC1COCC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C17H25NO2/c1-19-13-11-18(14-17-9-12-20-15-17)10-5-8-16-6-3-2-4-7-16/h2-8,17H,9-15H2,1H3/b8-5+
• InChIKey: SBAOKCFKUQVXAX-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6694431
• LogD (pH = 7.4): 0.95399666
• Log P: 2.4963577
• Molar Refractivity: 84.5565 cm^3
• Polarizability: 32.618225 Å^3
• Polar Surface Area: 21.7 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: 2.42
• LOG S: -2.27
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 8