ethyl(2-phenoxyethyl)amine

• ChemBase ID: 310333
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(CCOc1ccccc1)CC
• Canonical SMILES: CCNCCOc1ccccc1
• InChI: InChI=1S/C10H15NO/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
• InChIKey: JOPASECFKWQSNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-phenoxyethyl)amine
• IUPAC Traditional name: ethyl(2-phenoxyethyl)amine
• Synonyms: N-ethyl-2-phenoxyethanamine

Database IDs

• CAS Number: 91251-54-6
• MDL Number: MFCD00026705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3773971
• LogD (pH = 7.4): -0.3549472
• Log P: 1.8079791
• Molar Refractivity: 49.9942 cm^3
• Polarizability: 19.91768 Å^3
• Polar Surface Area: 21.26 Å^2