N-[(4-ethoxyphenyl)methyl]-N-{[3-(pyrimidin-2-yloxy)phenyl]methyl}cyclopropanamine

• ChemBase ID: 510351
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: N(C1CC1)(Cc1cc(Oc2ncccn2)ccc1)Cc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CN(C1CC1)Cc1cccc(c1)Oc1ncccn1
• InChI: InChI=1S/C23H25N3O2/c1-2-27-21-11-7-18(8-12-21)16-26(20-9-10-20)17-19-5-3-6-22(15-19)28-23-24-13-4-14-25-23/h3-8,11-15,20H,2,9-10,16-17H2,1H3
• InChIKey: AYUAKYBAQSUFAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethoxyphenyl)methyl]-N-{[3-(pyrimidin-2-yloxy)phenyl]methyl}cyclopropanamine
• IUPAC Traditional name: N-[(4-ethoxyphenyl)methyl]-N-{[3-(pyrimidin-2-yloxy)phenyl]methyl}cyclopropanamine
• Synonyms: N-(4-ethoxybenzyl)-N-[3-(pyrimidin-2-yloxy)benzyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7809906
• LogD (pH = 7.4): 3.5475578
• Log P: 4.5593796
• Molar Refractivity: 110.4874 cm^3
• Polarizability: 42.837765 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.19
• LOG S: -4.51
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 9