2-[2-(thiophen-2-ylmethyl)phenoxymethyl]morpholine

• ChemBase ID: 129751
• Molecular Formular: C16H19NO2S
• Molecular Mass: 289.39256
• Monoisotopic Mass: 289.11364985
• SMILES: O1CCNCC1COc1ccccc1Cc1sccc1
• Canonical SMILES: C1COC(CN1)COc1ccccc1Cc1cccs1
• InChI: InChI=1S/C16H19NO2S/c1-2-6-16(19-12-14-11-17-7-8-18-14)13(4-1)10-15-5-3-9-20-15/h1-6,9,14,17H,7-8,10-12H2
• InChIKey: OILWWIVKIDXCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(thiophen-2-ylmethyl)phenoxymethyl]morpholine
• IUPAC Traditional name: teniloxazine
• Synonyms: Y-8894; Teniloxazine

Database IDs

• CAS Number: 62473-79-4
• PubChem SID: 162224040
• PubChem CID: 119114
• Chemspider ID: 106426
• Unique Ingredient Identifier: 95Q6WNP25P
• Wikipedia Title: Teniloxazine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71006167
• LogD (pH = 7.4): 2.4394517
• Log P: 3.2971132
• Molar Refractivity: 80.7714 cm^3
• Polarizability: 31.705744 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only