ethyl[2-(3-methylphenoxy)ethyl]amine

• ChemBase ID: 312330
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1c(OCCNCC)cccc1C
• Canonical SMILES: CCNCCOc1cccc(c1)C
• InChI: InChI=1S/C11H17NO/c1-3-12-7-8-13-11-6-4-5-10(2)9-11/h4-6,9,12H,3,7-8H2,1-2H3
• InChIKey: PPYRVRRMYRNNML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(3-methylphenoxy)ethyl]amine
• IUPAC Traditional name: ethyl[2-(3-methylphenoxy)ethyl]amine
• Synonyms: N-ethyl-2-(3-methylphenoxy)ethanamine

Database IDs

• CAS Number: 915924-03-7
• MDL Number: MFCD08691900

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.86437625
• LogD (pH = 7.4): 0.15548149
• Log P: 2.3214004
• Molar Refractivity: 55.0354 cm^3
• Polarizability: 21.684027 Å^3
• Polar Surface Area: 21.26 Å^2