Metabolite N-Desmethyldiphenhydramine
- Name
- N-Desmethyldiphenhydramine
- Description
- Not Available
- Structure
Structure for N-Desmethyldiphenhydramine
- Synonyms
- 2-(diphenylmethoxy)-N-methylethylamine / Monodesmethyldiphenhydramine / Nordiphenhydramine
- External IDs
- FAR 8328V / FAR-8328V
- UNII
- 5SFV0923XI
- CAS number
- 17471-10-2
- Weight
- Average: 241.3282
Monoisotopic: 241.146664235 - Chemical Formula
- C16H19NO
- InChI Key
- AGSLYHYWLYGAOU-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
- IUPAC Name
- [2-(diphenylmethoxy)ethyl](methyl)amine
- SMILES
- CNCCOC(C1=CC=CC=C1)C1=CC=CC=C1
- Reactions
- External Links
- Human Metabolome Database
- HMDB0060535
- ChemSpider
- 37260
- ChEBI
- 188299
- ZINC
- ZINC000002003663
- Predicted Properties
Property Value Source Water Solubility 0.00831 mg/mL ALOGPS logP 3.09 ALOGPS logP 3.27 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 9.68 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 74.63 m3·mol-1 Chemaxon Polarizability 28.09 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon