4-fluoro-2-({methyl[2-(morpholin-4-yl)propyl]amino}methyl)phenol

• ChemBase ID: 386496
• Molecular Formular: C15H23FN2O2
• Molecular Mass: 282.3537232
• Monoisotopic Mass: 282.17435621
• SMILES: c1(CN(CC(N2CCOCC2)C)C)c(ccc(c1)F)O
• Canonical SMILES: CC(N1CCOCC1)CN(Cc1cc(F)ccc1O)C
• InChI: InChI=1S/C15H23FN2O2/c1-12(18-5-7-20-8-6-18)10-17(2)11-13-9-14(16)3-4-15(13)19/h3-4,9,12,19H,5-8,10-11H2,1-2H3
• InChIKey: NYVJDWGFCJGYKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-({methyl[2-(morpholin-4-yl)propyl]amino}methyl)phenol
• IUPAC Traditional name: 4-fluoro-2-({methyl[2-(morpholin-4-yl)propyl]amino}methyl)phenol
• Synonyms: 4-fluoro-2-{[methyl(2-morpholin-4-ylpropyl)amino]methyl}phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.9996047
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2045698
• LogD (pH = 7.4): 0.35195646
• Log P: 0.90278476
• Molar Refractivity: 78.3104 cm^3
• Polarizability: 30.17944 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.37
• LOG S: -0.84
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 5