Metabolite p-Hydroxyphenylaprindine
- Name
- p-Hydroxyphenylaprindine
- Description
- Not Available
- Structure
Structure for p-Hydroxyphenylaprindine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 338.495
Monoisotopic: 338.235813594 - Chemical Formula
- C22H30N2O
- InChI Key
- NDSJVPYEVPNZKX-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H30N2O/c1-3-23(4-2)14-7-15-24(20-10-12-22(25)13-11-20)21-16-18-8-5-6-9-19(18)17-21/h5-6,8-13,21,25H,3-4,7,14-17H2,1-2H3
- IUPAC Name
- 4-{[3-(diethylamino)propyl](2,3-dihydro-1H-inden-2-yl)amino}phenol
- SMILES
- [H]OC1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C1([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])[H]
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 181.9956 predictedDeepCCS 1.0 (2019) [M+H]+ 183.71933 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.02332 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.113 mg/mL ALOGPS logP 4.79 ALOGPS logP 4.24 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 10.45 Chemaxon pKa (Strongest Basic) 9.78 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 26.71 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 107.2 m3·mol-1 Chemaxon Polarizability 40.87 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