3-(2,6-dimethylphenoxy)azetidine

• ChemBase ID: 307986
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(OC2CNC2)c(cccc1C)C
• Canonical SMILES: Cc1cccc(c1OC1CNC1)C
• InChI: InChI=1S/C11H15NO/c1-8-4-3-5-9(2)11(8)13-10-6-12-7-10/h3-5,10,12H,6-7H2,1-2H3
• InChIKey: KWVYNBCMSWIINH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylphenoxy)azetidine
• IUPAC Traditional name: 3-(2,6-dimethylphenoxy)azetidine
• Synonyms: 3-(2,6-dimethylphenoxy)azetidine

Database IDs

• CAS Number: 143482-46-6
• MDL Number: MFCD09971222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5009199
• LogD (pH = 7.4): 1.139375
• Log P: 2.366256
• Molar Refractivity: 53.0292 cm^3
• Polarizability: 20.868217 Å^3
• Polar Surface Area: 21.26 Å^2