(2,2-diphenoxyethyl)dimethylamine

• ChemBase ID: 73776
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: N(CC(Oc1ccccc1)Oc1ccccc1)(C)C
• Canonical SMILES: CN(CC(Oc1ccccc1)Oc1ccccc1)C
• InChI: InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
• InChIKey: QNMGHBMGNRQPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-diphenoxyethyl)dimethylamine
• IUPAC Traditional name: medifoxamina; medifoxamine
• Synonyms: Medifoxamine

Database IDs

• CAS Number: 32359-34-5
• MDL Number: MFCD00865432
• PubChem SID: 162038695
• PubChem CID: 36109
• ATC CODE: N06AX13
• KEGG ID: D07341
• Unique Ingredient Identifier: KWU7C2A1NT
• Wikipedia Title: Medifoxamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1843454
• LogD (pH = 7.4): 2.958365
• Log P: 3.8041468
• Molar Refractivity: 75.8301 cm^3
• Polarizability: 30.188293 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

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