2-(2-ethoxyphenoxymethyl)morpholine

• ChemBase ID: 130321
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: O(c1ccccc1OCC)CC1OCCNC1
• Canonical SMILES: CCOc1ccccc1OCC1CNCCO1
• InChI: InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3
• InChIKey: YWPHCCPCQOJSGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenoxymethyl)morpholine
• IUPAC Traditional name: viloxazine
• Synonyms: Viloxazine

Database IDs

• CAS Number: 46817-91-8
• PubChem SID: 162224600
• PubChem CID: 5666
• ATC CODE: N06AX09
• CHEMBL: 306700
• Chemspider ID: 5464
• KEGG ID: D08673
• Unique Ingredient Identifier: 5I5Y2789ZF
• Wikipedia Title: Viloxazine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0954765
• LogD (pH = 7.4): 0.6339135
• Log P: 1.4915744
• Molar Refractivity: 65.2021 cm^3
• Polarizability: 26.06253 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral, intravenous (infusion)
• Excretion: Renal
• Legal Status: Not a controlled substance