(2-methoxyethyl)[(2-methyl-2H-indazol-3-yl)methyl][(4-methylphenyl)methyl]amine

• ChemBase ID: 318268
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: c1(c2c(nn1C)cccc2)CN(Cc1ccc(cc1)C)CCOC
• Canonical SMILES: COCCN(Cc1n(C)nc2c1cccc2)Cc1ccc(cc1)C
• InChI: InChI=1S/C20H25N3O/c1-16-8-10-17(11-9-16)14-23(12-13-24-3)15-20-18-6-4-5-7-19(18)21-22(20)2/h4-11H,12-15H2,1-3H3
• InChIKey: FWEQCYYVKVDWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2-methyl-2H-indazol-3-yl)methyl][(4-methylphenyl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(2-methylindazol-3-yl)methyl][(4-methylphenyl)methyl]amine
• Synonyms: (2-methoxyethyl)(4-methylbenzyl)[(2-methyl-2H-indazol-3-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2811369
• LogD (pH = 7.4): 3.0524354
• Log P: 3.82875
• Molar Refractivity: 110.1571 cm^3
• Polarizability: 39.25754 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.8
• LOG S: -3.79
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7