3,6-dimethyl-2-phenylmorpholine

• ChemBase ID: 125289
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: CC1NCC(C)OC1c1ccccc1
• Canonical SMILES: CC1NCC(OC1c1ccccc1)C
• InChI: InChI=1S/C12H17NO/c1-9-8-13-10(2)12(14-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
• InChIKey: FZEIVUHEODGHML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dimethyl-2-phenylmorpholine
• IUPAC Traditional name: 3,6-dimethyl-2-phenylmorpholine
• Synonyms: 2-Phenyl-3,6-dimethylmorpholine

Database IDs

• CAS Number: 92902-99-3
• PubChem SID: 162219639
• PubChem CID: 43174741
• Wikipedia Title: 2-Phenyl-3,6-dimethylmorpholine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.51271075
• LogD (pH = 7.4): 1.1917725
• Log P: 2.2060113
• Molar Refractivity: 56.8883 cm^3
• Polarizability: 22.88145 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true