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

• ChemBase ID: 28816
• Molecular Formular: C17H30N2O2
• Molecular Mass: 294.4323
• Monoisotopic Mass: 294.23072821
• SMILES: c1(c(OCCOCC)cccc1)CNCCN(CC)CC
• Canonical SMILES: CCOCCOc1ccccc1CNCCN(CC)CC
• InChI: InChI=1S/C17H30N2O2/c1-4-19(5-2)12-11-18-15-16-9-7-8-10-17(16)21-14-13-20-6-3/h7-10,18H,4-6,11-15H2,1-3H3
• InChIKey: VOQSCMJBNUJENC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10687525
• PubChem SID: 160992123
• PubChem CID: 28307985

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0078818
• LogD (pH = 7.4): 0.49167952
• Log P: 2.4160163
• Molar Refractivity: 89.0776 cm^3
• Polarizability: 35.01899 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false