Metabolite N,N-Didesmethyldiphenhydramine

Name
N,N-Didesmethyldiphenhydramine
Description
Not Available
Structure
Synonyms
Not Available
UNII
YCO6ZP0WF3
CAS number
Not Available
Weight
Average: 227.3016
Monoisotopic: 227.131014171
Chemical Formula
C15H17NO
InChI Key
NFJFUDGBWGXTHS-UHFFFAOYSA-N
InChI
InChI=1S/C15H17NO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
IUPAC Name
2-(diphenylmethoxy)ethan-1-amine
SMILES
NCCOC(C1=CC=CC=C1)C1=CC=CC=C1
Reactions
ChemSpider
33170
BindingDB
50434555
ChEMBL
CHEMBL2386007
Predicted Properties
PropertyValueSource
Water Solubility0.0766 mg/mLALOGPS
logP2.69ALOGPS
logP2.84Chemaxon
logS-3.5ALOGPS
pKa (Strongest Basic)9.44Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area35.25 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity69.86 m3·mol-1Chemaxon
Polarizability26.05 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon