tert-butyl 2-(2-ethoxyphenoxymethyl)morpholine-4-carboxylate

• ChemBase ID: 163244
• Molecular Formular: C18H27NO5
• Molecular Mass: 337.41068
• Monoisotopic Mass: 337.18892297
• SMILES: c1cccc(c1OCC)OCC1CN(CCO1)C(=O)OC(C)(C)C
• Canonical SMILES: CCOc1ccccc1OCC1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C18H27NO5/c1-5-21-15-8-6-7-9-16(15)23-13-14-12-19(10-11-22-14)17(20)24-18(2,3)4/h6-9,14H,5,10-13H2,1-4H3
• InChIKey: FQZIJLMLSFGBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(2-ethoxyphenoxymethyl)morpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl 2-(2-ethoxyphenoxymethyl)morpholine-4-carboxylate
• Synonyms: (+/-)-2-N-tert-Butoxycarbonyl-(o-ethoxyphenoxymethyl)morpholine; N-tert-Butoxycarbonyl Catatrol; N-tert-Butoxycarbonyl Vicilan; N-tert-Butoxycarbonyl Viloxazin; rac N-tert-Butoxycarbonyl Viloxazine

Database IDs

• PubChem SID: 162257379
• PubChem CID: 71314355

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7747674
• LogD (pH = 7.4): 2.7747674
• Log P: 2.7747674
• Molar Refractivity: 90.1972 cm^3
• Polarizability: 35.669624 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Hexane
• Apperance: Light Yellow Oil

DETAILS

Toronto Research Chemicals - B690510

Protected Viloxazine.