[2-(diethylamino)ethyl]({[4-(2-methoxyethoxy)phenyl]methyl})amine

• ChemBase ID: 28815
• Molecular Formular: C16H28N2O2
• Molecular Mass: 280.40572
• Monoisotopic Mass: 280.21507815
• SMILES: N(CCNCc1ccc(cc1)OCCOC)(CC)CC
• Canonical SMILES: COCCOc1ccc(cc1)CNCCN(CC)CC
• InChI: InChI=1S/C16H28N2O2/c1-4-18(5-2)11-10-17-14-15-6-8-16(9-7-15)20-13-12-19-3/h6-9,17H,4-5,10-14H2,1-3H3
• InChIKey: UZMGVVNYPZQHNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl]({[4-(2-methoxyethoxy)phenyl]methyl})amine
• IUPAC Traditional name: [2-(diethylamino)ethyl]({[4-(2-methoxyethoxy)phenyl]methyl})amine
• Synonyms: N1,N1-diethyl-N2-[4-(2-methoxyethoxy)benzyl]-1,2-ethanediamine

Database IDs

• MDL Number: MFCD10687524
• PubChem SID: 160992122
• PubChem CID: 28307983

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.461353
• LogD (pH = 7.4): -0.054489512
• Log P: 2.0592084
• Molar Refractivity: 84.329 cm^3
• Polarizability: 33.17374 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false