[2-(diethylamino)ethyl][2-(2-methoxyphenoxy)ethyl]amine

• ChemBase ID: 28810
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: c1(c(OCCNCCN(CC)CC)cccc1)OC
• Canonical SMILES: CCN(CCNCCOc1ccccc1OC)CC
• InChI: InChI=1S/C15H26N2O2/c1-4-17(5-2)12-10-16-11-13-19-15-9-7-6-8-14(15)18-3/h6-9,16H,4-5,10-13H2,1-3H3
• InChIKey: FHGJSDJNYYJZHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl][2-(2-methoxyphenoxy)ethyl]amine
• IUPAC Traditional name: [2-(diethylamino)ethyl][2-(2-methoxyphenoxy)ethyl]amine
• Synonyms: N1,N1-diethyl-N2-[2-(2-methoxyphenoxy)ethyl]-1,2-ethanediamine

Database IDs

• MDL Number: MFCD10687519
• PubChem SID: 160992117
• PubChem CID: 28307969

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4715675
• LogD (pH = 7.4): -0.02885835
• Log P: 2.0257604
• Molar Refractivity: 79.2251 cm^3
• Polarizability: 31.318611 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false