N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-N-[(2-methoxyphenyl)methyl]cyclopropanamine

• ChemBase ID: 711776
• Molecular Formular: C20H32N2O2
• Molecular Mass: 332.48028
• Monoisotopic Mass: 332.24637827
• SMILES: N(C1CC1)(Cc1c(OC)cccc1)CC(CN1CCOCC1)(C)C
• Canonical SMILES: COc1ccccc1CN(C1CC1)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C20H32N2O2/c1-20(2,15-21-10-12-24-13-11-21)16-22(18-8-9-18)14-17-6-4-5-7-19(17)23-3/h4-7,18H,8-16H2,1-3H3
• InChIKey: JTGISDOOWNSBLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-N-[(2-methoxyphenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-N-[(2-methoxyphenyl)methyl]cyclopropanamine
• Synonyms: N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(2-methoxybenzyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.549169
• LogD (pH = 7.4): 1.5525256
• Log P: 3.0543149
• Molar Refractivity: 98.9934 cm^3
• Polarizability: 39.08381 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.68
• LOG S: -3.76
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8