(1,4-dioxan-2-ylmethyl)[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]methylamine

• ChemBase ID: 517932
• Molecular Formular: C15H20FNO2
• Molecular Mass: 265.3232032
• Monoisotopic Mass: 265.14780711
• SMILES: C(=C\c1ccc(F)cc1)/CN(CC1OCCOC1)C
• Canonical SMILES: CN(CC1OCCOC1)C/C=C/c1ccc(cc1)F
• InChI: InChI=1S/C15H20FNO2/c1-17(11-15-12-18-9-10-19-15)8-2-3-13-4-6-14(16)7-5-13/h2-7,15H,8-12H2,1H3/b3-2+
• InChIKey: ABFVZDZMTGERDR-NSCUHMNNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,4-dioxan-2-ylmethyl)[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]methylamine
• IUPAC Traditional name: (1,4-dioxan-2-ylmethyl)[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]methylamine
• Synonyms: (1,4-dioxan-2-ylmethyl)[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.025584007
• LogD (pH = 7.4): 1.7407355
• Log P: 2.4615512
• Molar Refractivity: 74.9239 cm^3
• Polarizability: 28.568342 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.36
• LOG S: -2.14
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5