6-[3-fluoro-5-(propan-2-yloxy)phenyl]-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 726745
• Molecular Formular: C15H18FN3O
• Molecular Mass: 275.3213232
• Monoisotopic Mass: 275.14339043
• SMILES: n1nc(c2cc(cc(c2)F)OC(C)C)ccc1N(C)C
• Canonical SMILES: CC(Oc1cc(F)cc(c1)c1ccc(nn1)N(C)C)C
• InChI: InChI=1S/C15H18FN3O/c1-10(2)20-13-8-11(7-12(16)9-13)14-5-6-15(18-17-14)19(3)4/h5-10H,1-4H3
• InChIKey: GSHLLFBCPJFKOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-fluoro-5-(propan-2-yloxy)phenyl]-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-(3-fluoro-5-isopropoxyphenyl)-N,N-dimethylpyridazin-3-amine
• Synonyms: 6-(3-fluoro-5-isopropoxyphenyl)-N,N-dimethylpyridazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.264455
• LogD (pH = 7.4): 3.2697265
• Log P: 3.2697942
• Molar Refractivity: 79.1177 cm^3
• Polarizability: 30.162548 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: 3
• H Donor: 0
• Log P: 2.91
• LOG S: -3.69
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4