This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl-

PubChem CID: 161379

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms 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, N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine, MFCD02184572, AKOS001648896, 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
Topological Polar Surface Area 21.7
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 386.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id B2RXH2, P10636, P00352, O97447, P51450, P11473, P61169, P18901, P27695, P06856
Iupac Name N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine
Prediction Hob 1.0
Target Id NPT48, NPT51, NPT94
Xlogp 4.5
Molecular Formula C19H19NO2
Prediction Swissadme 1.0
Inchi Key FXTBDJZGDJJCQU-UHFFFAOYSA-N
Fcsp3 0.2631578947368421
Logs -5.75
Rotatable Bond Count 3.0
Logd 3.371
Compound Name Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl-
Prediction Hob Swissadme 1.0
Exact Mass 293.142
Formal Charge 0.0
Monoisotopic Mass 293.142
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 293.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.791927890909091
Inchi InChI=1S/C19H19NO2/c1-20(2)10-9-14-11-17-19(22-12-21-17)18-15-6-4-3-5-13(15)7-8-16(14)18/h3-8,11H,9-10,12H2,1-2H3
Smiles CN(C)CCC1=CC2=C(C3=C1C=CC4=CC=CC=C43)OCO2
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acronychia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Anaxagorea Luzonensis (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Argyreia Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Croton Regelianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Erythrina Chiriquensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Lathyrus Aphaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Magnolia Coco (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Melianthus Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Phelipanche Arenaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Phoradendron Reichenbachianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home