5-Methoxy-N-Methyltryptamine
PubChem CID: 16184
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| Compound Synonyms | 5-Methoxy-N-methyltryptamine, 2009-03-2, 1H-Indole-3-ethanamine, 5-methoxy-N-methyl-, 2-(5-Methoxy-1H-indol-3-yl)-N-methylethanamine, N,O-dimethylserotonin, n-methyl-5-methoxy-1h-indole-3-ethanamine, 5-methoxy-N-methyl-1H-indole-3-ethanamine, YBO217L5YV, BRN 0160626, CHEBI:189635, N-METHYL-5-METHOXYTRYPTAMINE, 5-MEO-NMT, UNII-YBO217L5YV, INDOLE, 5-METHOXY-3-(2-METHYLAMINO)ETHYL-, CHEMBL58579, DTXSID40173909, 5-methoxy-3-(2-methylamino)ethylindole, Indole, 5-methoxy-3-[2-(methylamino)ethyl]-, 5-22-12-00025 (Beilstein Handbook Reference), INDOLE, 5-METHOXY-3-(2-(METHYLAMINO)ETHYL)-, 5-methoxy-N-methyl Tryptamine, 5-methoxy-N-methyl-1H-indole-3-ethanamine, 5-Methoxy NMT, Oprea1_817351, SCHEMBL1130014, DTXCID3096400, CAA00903, BDBM50038691, STK365327, AKOS005443520, PD150636, DB-199536, 2-(5-methoxy-1H-indol-3-yl)-ethyl-methyl-amine, [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-methyl-amine, 2-(5-Methoxy-1H-indol-3-yl)-N-methylethanamine #, Q4639626 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | CNCCcc[nH]cc5ccOC))cc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Tryptamines and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08909, P28223, P28335, O42275 |
| Iupac Name | 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT290 |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H16N2O |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NFDDCRIHMZGWBP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.416 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.533 |
| Synonyms | 5-methoxy-n-methyltryptamine |
| Esol Class | Soluble |
| Functional Groups | CNC, cOC, c[nH]c |
| Compound Name | 5-Methoxy-N-Methyltryptamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 204.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 204.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.7480925999999997 |
| Inchi | InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3 |
| Smiles | CNCCC1=CNC2=C1C=C(C=C2)OC |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Codariocalyx Motorius (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Desmodium Multiflorum (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Desmodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all