2-(2-methoxyphenyl)azetidine hydrochloride

• ChemBase ID: 173107
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: C1CNC1c1ccccc1OC.Cl
• Canonical SMILES: COc1ccccc1C1CCN1.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-12-10-5-3-2-4-8(10)9-6-7-11-9;/h2-5,9,11H,6-7H2,1H3;1H
• InChIKey: DYAMPFPOVOKBNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)azetidine hydrochloride
• IUPAC Traditional name: 2-(2-methoxyphenyl)azetidine hydrochloride
• Synonyms: 2-(2-Methoxyphenyl)azetidine Hydrochloride

Database IDs

• PubChem SID: 164229017
• PubChem CID: 71750136

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8270285
• LogD (pH = 7.4): -0.6246036
• Log P: 1.3221252
• Molar Refractivity: 48.3358 cm^3
• Polarizability: 19.174677 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M265850

A 2-aryl substituted Azetidine (A813000).