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

• ChemBase ID: 316659
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1(cocc1)CN(C/C=C/c1ccccc1)CCOC
• Canonical SMILES: COCCN(Cc1cocc1)C/C=C/c1ccccc1
• InChI: InChI=1S/C17H21NO2/c1-19-13-11-18(14-17-9-12-20-15-17)10-5-8-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3/b8-5+
• InChIKey: FMAVHVMYRPRSEL-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.220821
• LogD (pH = 7.4): 2.9072394
• Log P: 3.3423014
• Molar Refractivity: 83.0888 cm^3
• Polarizability: 31.742489 Å^3
• Polar Surface Area: 25.61 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: 3.63
• LOG S: -3.27
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 8