Metabolite 3-(methylamino)-1-phenylpropan-1-one
- Name
- 3-(methylamino)-1-phenylpropan-1-one
- Description
- Not Available
- Structure
Structure for 3-(methylamino)-1-phenylpropan-1-one
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 163.22
Monoisotopic: 163.099714043 - Chemical Formula
- C10H13NO
- InChI Key
- CAIKBWLFBLRPJU-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H13NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
- IUPAC Name
- 3-(methylamino)-1-phenylpropan-1-one
- SMILES
- [H]N(C([H])([H])[H])C([H])([H])CC(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]
- Reactions
- External Links
- ChemSpider
- 360886
- ZINC
- ZINC000001700288
- Predicted Properties
Property Value Source Water Solubility 2.08 mg/mL ALOGPS logP 0.84 ALOGPS logP 1.28 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 16.22 Chemaxon pKa (Strongest Basic) 9.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.1 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 49.29 m3·mol-1 Chemaxon Polarizability 18.45 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon