Metabolite Desethylaprindine
- Name
- Desethylaprindine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 294.442
Monoisotopic: 294.209598845 - Chemical Formula
- C20H26N2
- InChI Key
- JVKNBCGVGGFZLV-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H26N2/c1-2-21-13-8-14-22(19-11-4-3-5-12-19)20-15-17-9-6-7-10-18(17)16-20/h3-7,9-12,20-21H,2,8,13-16H2,1H3
- IUPAC Name
- N-[3-(ethylamino)propyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
- SMILES
- [H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])[H]
- Reactions
- Aprindine Desethylaprindine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 173.42563 predictedDeepCCS 1.0 (2019) [M+H]+ 175.32103 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.37517 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 142839
- Predicted Properties
Property Value Source Water Solubility 0.00766 mg/mL ALOGPS logP 4.54 ALOGPS logP 4.25 Chemaxon logS -4.6 ALOGPS pKa (Strongest Basic) 10.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 95.17 m3·mol-1 Chemaxon Polarizability 36.14 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon