(cyclopropylmethyl)(2-methoxyethyl)[(4-methylphenyl)methyl]amine

• ChemBase ID: 470486
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: C1(CC1)CN(Cc1ccc(cc1)C)CCOC
• Canonical SMILES: COCCN(Cc1ccc(cc1)C)CC1CC1
• InChI: InChI=1S/C15H23NO/c1-13-3-5-14(6-4-13)11-16(9-10-17-2)12-15-7-8-15/h3-6,15H,7-12H2,1-2H3
• InChIKey: QPQMDSNGJJUXSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(2-methoxyethyl)[(4-methylphenyl)methyl]amine
• IUPAC Traditional name: (cyclopropylmethyl)(2-methoxyethyl)[(4-methylphenyl)methyl]amine
• Synonyms: (cyclopropylmethyl)(2-methoxyethyl)(4-methylbenzyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.19144866
• LogD (pH = 7.4): 1.1788281
• Log P: 3.1616657
• Molar Refractivity: 72.6274 cm^3
• Polarizability: 28.34237 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.55
• LOG S: -2.93
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 7