(2S)-2-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID: 70109974
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| Compound Synonyms | SCHEMBL7496690 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | FMCGSUUBYTWNDP-FTNKSUMCSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Compound Name | (2S)-2-(dimethylamino)-1-phenylpropan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 179.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 179.26 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(dimethylamino)-1-phenylpropan-1-ol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.1659690615384615 |
| 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?/m0/s1 |
| Smiles | C[C@@H](C(C1=CC=CC=C1)O)N(C)C |
| Xlogp | 1.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H17NO |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients