(2-{4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-2-yl}ethyl)dimethylamine

• ChemBase ID: 844246
• Molecular Formular: C17H25FN2O
• Molecular Mass: 292.3916032
• Monoisotopic Mass: 292.19509165
• SMILES: N1(CC(OCC1)CCN(C)C)C/C=C/c1ccc(F)cc1
• Canonical SMILES: CN(CCC1OCCN(C1)C/C=C/c1ccc(cc1)F)C
• InChI: InChI=1S/C17H25FN2O/c1-19(2)11-9-17-14-20(12-13-21-17)10-3-4-15-5-7-16(18)8-6-15/h3-8,17H,9-14H2,1-2H3/b4-3+
• InChIKey: SEHGBMWVLYNNSH-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-2-yl}ethyl)dimethylamine
• IUPAC Traditional name: (2-{4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholin-2-yl}ethyl)dimethylamine
• Synonyms: (2-{4-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-2-morpholinyl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0187151
• LogD (pH = 7.4): 0.4815649
• Log P: 2.587131
• Molar Refractivity: 86.7649 cm^3
• Polarizability: 33.082527 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.02
• LOG S: -1.62
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5