Metabolite N-desmethylpheniramine
- Name
- N-desmethylpheniramine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 226.323
Monoisotopic: 226.146998588 - Chemical Formula
- C15H18N2
- InChI Key
- GDCVFNAQLOMGMS-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H18N2/c1-16-12-10-14(13-7-3-2-4-8-13)15-9-5-6-11-17-15/h2-9,11,14,16H,10,12H2,1H3
- IUPAC Name
- methyl[3-phenyl-3-(pyridin-2-yl)propyl]amine
- SMILES
- CNCCC(C1=CC=CC=C1)C1=CC=CC=N1
- Reactions
- Pheniramine N-desmethylpheniramine
- N-desmethylpheniramine N-didesmethylpheniramine
- Pheniramine N-desmethylpheniramine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 145.22362 predictedDeepCCS 1.0 (2019) [M+H]+ 147.67537 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.0457 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 141676
- Predicted Properties
Property Value Source logP 2.6 Chemaxon pKa (Strongest Basic) 10.18 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 24.92 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 70.75 m3·mol-1 Chemaxon Polarizability 26.46 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