1-(diphenylmethyl)-3-(methoxymethylidene)azetidine

• ChemBase ID: 796285
• Molecular Formular: C18H19NO
• Molecular Mass: 265.34956
• Monoisotopic Mass: 265.14666423
• SMILES: C1(=COC)CN(C1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: COC=C1CN(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H19NO/c1-20-14-15-12-19(13-15)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3
• InChIKey: PFDLMLXAYRDTNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-3-(methoxymethylidene)azetidine
• IUPAC Traditional name: 1-(diphenylmethyl)-3-(methoxymethylidene)azetidine
• Synonyms: 1-Benzhydryl-3-(MethoxyMethylene)azetidine

Database IDs

• CAS Number: 676125-58-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1864812
• LogD (pH = 7.4): 3.3505862
• Log P: 3.4337146
• Molar Refractivity: 82.5705 cm^3
• Polarizability: 32.28109 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%