6-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 576253
• Molecular Formular: C16H21N3O
• Molecular Mass: 271.35744
• Monoisotopic Mass: 271.16846231
• SMILES: n1nc(c2ccc(cc2)C(OCC)C)ccc1N(C)C
• Canonical SMILES: CCOC(c1ccc(cc1)c1ccc(nn1)N(C)C)C
• InChI: InChI=1S/C16H21N3O/c1-5-20-12(2)13-6-8-14(9-7-13)15-10-11-16(18-17-15)19(3)4/h6-12H,5H2,1-4H3
• InChIKey: IGZYLDNMNNYECR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyridazin-3-amine
• Synonyms: 6-[4-(1-ethoxyethyl)phenyl]-N,N-dimethylpyridazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.153797
• LogD (pH = 7.4): 3.1604548
• Log P: 3.1605403
• Molar Refractivity: 84.0052 cm^3
• Polarizability: 32.401367 Å^3
• Polar Surface Area: 38.25 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: 2.82
• LOG S: -3.59
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5