(1r,2s)-n-Methylephedrine
PubChem CID: 6918907
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (1r,2s)-n-methylephedrine |
|---|---|
| Topological Polar Surface Area | 24.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H18NO+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | FMCGSUUBYTWNDP-ONGXEEELSA-O |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.995 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.066 |
| Compound Name | (1r,2s)-n-Methylephedrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.139 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 180.139 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 180.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1722186615384613 |
| Inchi | InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/p+1/t9-,11-/m0/s1 |
| Smiles | C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH+](C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients