(s)-2-Methylamino-1-phenylpropan-1-ol
PubChem CID: 11972440
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL8098202, CHEMBL1620154, (s)-2-methylamino-1-phenylpropan-1-ol |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-2-(methylamino)-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H15NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWGRBVOPPLSCSI-LHIURRSHSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.362 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.205 |
| Compound Name | (s)-2-Methylamino-1-phenylpropan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 165.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 165.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6223632000000001 |
| Inchi | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8?,10-/m1/s1 |
| Smiles | CC([C@H](C1=CC=CC=C1)O)NC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ephedra Lepidosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ephedra Likiangensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ephedra Minuta (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ephedra Monosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ephedra Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Ephedra Regeliana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Ephedra Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Sida Acuta (Plant) Rel Props:Source_db:cmaup_ingredients