2-[(1H-inden-7-yloxy)methyl]morpholine

• ChemBase ID: 127811
• Molecular Formular: C14H17NO2
• Molecular Mass: 231.29028
• Monoisotopic Mass: 231.12592879
• SMILES: O(c1cccc2C=CCc12)CC1OCCNC1
• Canonical SMILES: C1COC(CN1)COc1cccc2c1CC=C2
• InChI: InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2
• InChIKey: MADRVGBADLFHMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1H-inden-7-yloxy)methyl]morpholine
• IUPAC Traditional name: indeloxazine
• Synonyms: Indeloxazine

Database IDs

• CAS Number: 60929-23-9
• PubChem SID: 162222129
• PubChem CID: 3704
• Chemspider ID: 3576
• KEGG ID: D08077
• Unique Ingredient Identifier: 834M09R1KM
• Wikipedia Title: Indeloxazine

CALCULATED PROPERTIES

• Acid pKa: 18.907822
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5661499
• LogD (pH = 7.4): 1.1632402
• Log P: 2.0209017
• Molar Refractivity: 67.9881 cm^3
• Polarizability: 26.328997 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Half Life: 2.2 hours
• Legal Status: Rx-only