(-)-Normacromerine
PubChem CID: 12888928
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| Compound Synonyms | (-)-Normacromerine, 41787-64-8, (R)-3,4-Dimethoxy-alpha-((methylamino)methyl)benzenemethanol, (1R)-1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol, Benzenemethanol, 3,4-dimethoxy-alpha-((methylamino)methyl)-, (R)-, (alphaR)-3,4-Dimethoxy-alpha-[(methylamino)methyl]benzenemethanol, Normacromerine, (R)-3,4-Dimethoxy-alpha-[(methylamino)methyl]benzenemethanol, |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C11H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QSUCQAULQIAOEP-VIFPVBQESA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.096 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.309 |
| Compound Name | (-)-Normacromerine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 211.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 211.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9205181999999998 |
| Inchi | InChI=1S/C11H17NO3/c1-12-7-9(13)8-4-5-10(14-2)11(6-8)15-3/h4-6,9,12-13H,7H2,1-3H3/t9-/m0/s1 |
| Smiles | CNC[C@@H](C1=CC(=C(C=C1)OC)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Virginianum (Plant) Rel Props:Source_db:cmaup_ingredients