ethyl(2-hydroxy-3-phenoxypropyl)amine

• ChemBase ID: 310801
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: O(CC(O)CNCC)c1ccccc1
• Canonical SMILES: CCNCC(COc1ccccc1)O
• InChI: InChI=1S/C11H17NO2/c1-2-12-8-10(13)9-14-11-6-4-3-5-7-11/h3-7,10,12-13H,2,8-9H2,1H3
• InChIKey: HFOAMOYLGQYKAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58461-93-1
• MDL Number: MFCD00776854

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0055304
• LogD (pH = 7.4): -0.969148
• Log P: 1.1776441
• Molar Refractivity: 55.9567 cm^3
• Polarizability: 22.358755 Å^3
• Polar Surface Area: 41.49 Å^2