{[4-(cyclopentyloxy)phenyl]methyl}(methyl)(pyrazin-2-ylmethyl)amine

• ChemBase ID: 548319
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: n1c(CN(Cc2ccc(OC3CCCC3)cc2)C)cncc1
• Canonical SMILES: CN(Cc1nccnc1)Cc1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C18H23N3O/c1-21(14-16-12-19-10-11-20-16)13-15-6-8-18(9-7-15)22-17-4-2-3-5-17/h6-12,17H,2-5,13-14H2,1H3
• InChIKey: HHIRGHSBSOTMMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(cyclopentyloxy)phenyl]methyl}(methyl)(pyrazin-2-ylmethyl)amine
• IUPAC Traditional name: {[4-(cyclopentyloxy)phenyl]methyl}(methyl)(pyrazin-2-ylmethyl)amine
• Synonyms: 1-[4-(cyclopentyloxy)phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3205011
• LogD (pH = 7.4): 2.4137745
• Log P: 2.4822733
• Molar Refractivity: 87.2537 cm^3
• Polarizability: 34.33985 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.76
• LOG S: -2.72