[2-(2,6-dimethylphenoxy)ethyl](ethyl)amine

• ChemBase ID: 312598
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(cccc1C)C)OCCNCC
• Canonical SMILES: CCNCCOc1c(C)cccc1C
• InChI: InChI=1S/C12H19NO/c1-4-13-8-9-14-12-10(2)6-5-7-11(12)3/h5-7,13H,4,8-9H2,1-3H3
• InChIKey: WKYDJFOMCBXQBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,6-dimethylphenoxy)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(2,6-dimethylphenoxy)ethyl](ethyl)amine
• Synonyms: 2-(2,6-dimethylphenoxy)-N-ethylethanamine

Database IDs

• CAS Number: 99914-42-8
• MDL Number: MFCD08753025

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35356274
• LogD (pH = 7.4): 0.6489589
• Log P: 2.834822
• Molar Refractivity: 60.0766 cm^3
• Polarizability: 23.452097 Å^3
• Polar Surface Area: 21.26 Å^2