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

• ChemBase ID: 312621
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(C)cccc1)OCCNCC
• Canonical SMILES: CCNCCOc1ccccc1C
• InChI: InChI=1S/C11H17NO/c1-3-12-8-9-13-11-7-5-4-6-10(11)2/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: RSRVZPHVIXDLKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 75612-32-7
• MDL Number: MFCD08691982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.86549807
• LogD (pH = 7.4): 0.14700116
• Log P: 2.3214004
• Molar Refractivity: 55.0354 cm^3
• Polarizability: 21.684893 Å^3
• Polar Surface Area: 21.26 Å^2