methyl[2-(2,3,6-trimethylphenoxy)ethyl]amine

• ChemBase ID: 312588
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(c(ccc1C)C)C)OCCNC
• Canonical SMILES: CNCCOc1c(C)ccc(c1C)C
• InChI: InChI=1S/C12H19NO/c1-9-5-6-10(2)12(11(9)3)14-8-7-13-4/h5-6,13H,7-8H2,1-4H3
• InChIKey: RTTLXBNDMMUNGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(2,3,6-trimethylphenoxy)ethyl]amine
• IUPAC Traditional name: methyl[2-(2,3,6-trimethylphenoxy)ethyl]amine
• Synonyms: N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine

Database IDs

• CAS Number: 915921-02-7
• MDL Number: MFCD08691972

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.18697305
• LogD (pH = 7.4): 0.8778764
• Log P: 2.9914353
• Molar Refractivity: 60.3692 cm^3
• Polarizability: 23.371782 Å^3
• Polar Surface Area: 21.26 Å^2