2-(8,9-dimethoxynaphtho[2,1-g][1,3]benzodioxol-5-yl)-N,N-dimethylethanamine
PubChem CID: 163092760
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 40.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 473.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(8,9-dimethoxynaphtho[2,1-g][1,3]benzodioxol-5-yl)-N,N-dimethylethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PXFJQKXPKUGMSJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.394 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.362 |
| Compound Name | 2-(8,9-dimethoxynaphtho[2,1-g][1,3]benzodioxol-5-yl)-N,N-dimethylethanamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 353.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 353.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.92205313846154 |
| Inchi | InChI=1S/C21H23NO4/c1-22(2)10-9-13-11-18-21(26-12-25-18)19-14(13)5-6-16-15(19)7-8-17(23-3)20(16)24-4/h5-8,11H,9-10,12H2,1-4H3 |
| Smiles | CN(C)CCC1=CC2=C(C3=C1C=CC4=C3C=CC(=C4OC)OC)OCO2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients