diethyl(2-hydroxy-3-phenoxypropyl)amine

• ChemBase ID: 310600
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: O(CC(CN(CC)CC)O)c1ccccc1
• Canonical SMILES: CCN(CC(COc1ccccc1)O)CC
• InChI: InChI=1S/C13H21NO2/c1-3-14(4-2)10-12(15)11-16-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11H2,1-2H3
• InChIKey: LEHOQQJTXORYMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(2-hydroxy-3-phenoxypropyl)amine
• IUPAC Traditional name: diethyl(2-hydroxy-3-phenoxypropyl)amine
• Synonyms: 1-(diethylamino)-3-phenoxypropan-2-ol

Database IDs

• CAS Number: 15288-08-1
• MDL Number: MFCD00458860

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3918886
• LogD (pH = 7.4): 0.065091185
• Log P: 1.9175
• Molar Refractivity: 66.0 cm^3
• Polarizability: 26.046576 Å^3
• Polar Surface Area: 32.7 Å^2