6-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]pyridazin-3-amine

• ChemBase ID: 756338
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: n1nc(NCc2c(C)cccc2)ccc1c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ccc(nn1)NCc1ccccc1C
• InChI: InChI=1S/C19H19N3O/c1-14-7-3-4-8-15(14)13-20-19-12-11-17(21-22-19)16-9-5-6-10-18(16)23-2/h3-12H,13H2,1-2H3,(H,20,22)
• InChIKey: AKZMSZFOFPQNFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]pyridazin-3-amine
• IUPAC Traditional name: 6-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]pyridazin-3-amine
• Synonyms: 6-(2-methoxyphenyl)-N-(2-methylbenzyl)pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.466036
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9522195
• LogD (pH = 7.4): 3.956286
• Log P: 3.956338
• Molar Refractivity: 95.1529 cm^3
• Polarizability: 36.40846 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.58
• LOG S: -4.49
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 5