| Phytochemical Name : Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl- |
| PCNDIDP0074 |
| Pubchem CID : 161379 |
| Molecular formula: C19H19NO2 |
| Canonical SMILES : CN(C)CCC1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2 |
Synonymes : stephenanthrine|22108-99-2|Stephanthrine|MLS001207641|N,N-dimethyl-2-(2H-phenanthro[3,4-d][1,3]dioxol-5-yl)ethan-1-amine|Dimethyl-(2-phenanthro[3,4-d][1,3]dioxol-5-yl-ethyl)-amine|SMR000517938|Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl-|ChemDiv3_003111|Oprea1_105893|Oprea1_353681|CHEMBL492418|SCHEMBL10726686|BDBM69679|DTXSID40944752|CHEBI:132896|cid_24746882|HMS1481N09|NCGC00160247-01|US9211296, Table 7, Compd: 10|NCGC00160247-01!STEPHENANTHRINE|BRD-K06143692-003-01-4|dimethyl(2-naphtho[2,1-g][1,3]benzodioxol-5-ylethyl)amine;hydrochloride|N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine;hydrochloride|N,N-dimethyl-2-(5-naphtho[2,1-g][1,3]benzodioxolyl)ethanamine;hydrochloride|N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-yl-ethanamine;hydrochloride |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.400 |
| Log Po/w (XLOGP3) : 4.530 |
| Log Po/w (WLOGP) : 3.830 |
| Log Po/w (MLOGP) : 3.140 |
| Log Po/w (SILICOS-IT) : 4.250 |
| Consensus Log Po/w : 3.830 |