dimethyl({3-[2-(morpholin-4-ylmethyl)phenoxy]propyl})amine

• ChemBase ID: 766082
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: c1(CN2CCOCC2)c(OCCCN(C)C)cccc1
• Canonical SMILES: CN(CCCOc1ccccc1CN1CCOCC1)C
• InChI: InChI=1S/C16H26N2O2/c1-17(2)8-5-11-20-16-7-4-3-6-15(16)14-18-9-12-19-13-10-18/h3-4,6-7H,5,8-14H2,1-2H3
• InChIKey: HXFDWACKGPLZEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[2-(morpholin-4-ylmethyl)phenoxy]propyl})amine
• IUPAC Traditional name: dimethyl({3-[2-(morpholin-4-ylmethyl)phenoxy]propyl})amine
• Synonyms: N,N-dimethyl-3-[2-(morpholin-4-ylmethyl)phenoxy]propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6353385
• LogD (pH = 7.4): -0.27650315
• Log P: 1.6170751
• Molar Refractivity: 83.0229 cm^3
• Polarizability: 32.43971 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.02
• LOG S: -1.09
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7