2-(4-{[3-(benzyloxy)phenyl]methyl}morpholin-2-yl)ethan-1-amine

• ChemBase ID: 584901
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(Cc2cc(OCc3ccccc3)ccc2)CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)Cc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C20H26N2O2/c21-10-9-20-15-22(11-12-23-20)14-18-7-4-8-19(13-18)24-16-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16,21H2
• InChIKey: YZSBGNQSQULRJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[3-(benzyloxy)phenyl]methyl}morpholin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-{[3-(benzyloxy)phenyl]methyl}morpholin-2-yl)ethanamine
• Synonyms: (2-{4-[3-(benzyloxy)benzyl]morpholin-2-yl}ethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0293882
• LogD (pH = 7.4): -0.1400924
• Log P: 2.585687
• Molar Refractivity: 97.2364 cm^3
• Polarizability: 38.364956 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.29
• LOG S: -2.53
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 7