(1R,2R)-2-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID: 5706040
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| Compound Synonyms | 14222-20-9, (1R,2R)-(-)-N-Methylpseudoephedrine, (1R,2R)-2-(dimethylamino)-1-phenylpropan-1-ol, (r,r)-n-methylpseudoephedrine, 2-(Dimethylamino)-1-phenyl-1-propanol #, SCHEMBL338478, FMCGSUUBYTWNDP-KOLCDFICSA-N, DTXSID501016413, AKOS006275691, (1R,2R)-(-)-N-Methylpseudoephedrin, AC-15987, DB-222548, (1R,2r)-2-(dimethylamino)-1-phenyl-1-propanol |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| 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,2R)-2-(dimethylamino)-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H17NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | FMCGSUUBYTWNDP-KOLCDFICSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.519 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.998 |
| Compound Name | (1R,2R)-2-(dimethylamino)-1-phenylpropan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 179.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 179.26 |
| 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/t9-,11+/m1/s1 |
| Smiles | C[C@H]([C@@H](C1=CC=CC=C1)O)N(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