dimethyl({2-[(6-methylpyridazin-3-yl)oxy]phenyl}methyl)amine

• ChemBase ID: 828880
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: n1nc(ccc1Oc1c(CN(C)C)cccc1)C
• Canonical SMILES: CN(Cc1ccccc1Oc1ccc(nn1)C)C
• InChI: InChI=1S/C14H17N3O/c1-11-8-9-14(16-15-11)18-13-7-5-4-6-12(13)10-17(2)3/h4-9H,10H2,1-3H3
• InChIKey: IZVOQMCUTXHNQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[(6-methylpyridazin-3-yl)oxy]phenyl}methyl)amine
• IUPAC Traditional name: dimethyl({2-[(6-methylpyridazin-3-yl)oxy]phenyl}methyl)amine
• Synonyms: N,N-dimethyl-1-{2-[(6-methylpyridazin-3-yl)oxy]phenyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.71166337
• LogD (pH = 7.4): 1.0624574
• Log P: 1.943315
• Molar Refractivity: 73.4529 cm^3
• Polarizability: 27.691856 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.39
• LOG S: -2.01
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4