6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID: 5319720
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| Topological Polar Surface Area | 21.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HHYXHNSYWAYIPS-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.988 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.305 |
| Compound Name | 6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 297.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 297.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.173403963636363 |
| Inchi | InChI=1S/C19H23NO2/c1-20-11-10-15-13-17(22-3)8-9-18(15)19(20)12-14-4-6-16(21-2)7-5-14/h4-9,13,19H,10-12H2,1-3H3 |
| Smiles | CN1CCC2=C(C1CC3=CC=C(C=C3)OC)C=CC(=C2)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rosa Laevigata (Plant) Rel Props:Source_db:cmaup_ingredients