(2R)-2-(3,4-dimethoxyphenyl)-2-methoxy-N-methylethanamine
PubChem CID: 15612894
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL20630776 |
|---|---|
| Topological Polar Surface Area | 39.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(3,4-dimethoxyphenyl)-2-methoxy-N-methylethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C12H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DYEDYZOGYUEUAY-LBPRGKRZSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.948 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.104 |
| Compound Name | (2R)-2-(3,4-dimethoxyphenyl)-2-methoxy-N-methylethanamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 225.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 225.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7356855999999996 |
| Inchi | InChI=1S/C12H19NO3/c1-13-8-12(16-4)9-5-6-10(14-2)11(7-9)15-3/h5-7,12-13H,8H2,1-4H3/t12-/m0/s1 |
| Smiles | CNC[C@@H](C1=CC(=C(C=C1)OC)OC)OC |
| 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