N,N-dimethyl-2-(3,4,7,8-tetramethoxyphenanthren-1-yl)ethanamine
PubChem CID: 85802061
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| Topological Polar Surface Area | 40.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethyl-2-(3,4,7,8-tetramethoxyphenanthren-1-yl)ethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LXCVIXTYLPNZMY-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.592 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.41 |
| Compound Name | N,N-dimethyl-2-(3,4,7,8-tetramethoxyphenanthren-1-yl)ethanamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 369.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.956661903703705 |
| Inchi | InChI=1S/C22H27NO4/c1-23(2)12-11-14-13-19(25-4)22(27-6)20-15(14)7-8-17-16(20)9-10-18(24-3)21(17)26-5/h7-10,13H,11-12H2,1-6H3 |
| Smiles | CN(C)CCC1=CC(=C(C2=C1C=CC3=C2C=CC(=C3OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients