(R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID: 7061238
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| Compound Synonyms | (R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline, 54193-08-7, CHEMBL540259, (r)salsolidine, SCHEMBL1819825, CHEMBL1190131, HMYJLVDKPJHJCF-MRVPVSSYSA-N, BDBM50014636, CCG-208603, 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquinoline, hydrochloride ((+)-(R)-salsolidine) |
|---|---|
| Topological Polar Surface Area | 30.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C12H17NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HMYJLVDKPJHJCF-MRVPVSSYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.338 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.235 |
| Compound Name | (R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 207.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 207.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3474421999999993 |
| Inchi | InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1 |
| Smiles | C[C@@H]1C2=CC(=C(C=C2CCN1)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients