(2S)-2-(3,4-dimethoxyphenyl)-2-methoxy-N,N-dimethylethanamine
PubChem CID: 163078752
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| Topological Polar Surface Area | 30.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(3,4-dimethoxyphenyl)-2-methoxy-N,N-dimethylethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C13H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JDECRXOMHIGGFQ-CYBMUJFWSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -1.68 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.466 |
| Compound Name | (2S)-2-(3,4-dimethoxyphenyl)-2-methoxy-N,N-dimethylethanamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 239.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 239.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.096129470588235 |
| Inchi | InChI=1S/C13H21NO3/c1-14(2)9-13(17-5)10-6-7-11(15-3)12(8-10)16-4/h6-8,13H,9H2,1-5H3/t13-/m1/s1 |
| Smiles | CN(C)C[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