3-(diphenylmethyl)morpholine

• ChemBase ID: 125368
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: c1ccccc1C(C1NCCOC1)c1ccccc1
• Canonical SMILES: O1CCNC(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H19NO/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16-13-19-12-11-18-16/h1-10,16-18H,11-13H2
• InChIKey: OVLYYUBKZWEOEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diphenylmethyl)morpholine
• IUPAC Traditional name: 3-benzhydrylmorpholine
• Synonyms: 3-Benzhydrylmorpholine

Database IDs

• CAS Number: 93406-27-0
• PubChem SID: 162219718
• PubChem CID: 57466051
• Chemspider ID: 27289065
• Wikipedia Title: 3-Benzhydrylmorpholine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.44381043
• LogD (pH = 7.4): 2.148925
• Log P: 3.1602993
• Molar Refractivity: 77.3723 cm^3
• Polarizability: 30.589886 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true