3,4,5-Trimethoxyamphetamine
PubChem CID: 31016
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| Compound Synonyms | 3,4,5-TRIMETHOXYAMPHETAMINE, 1082-88-8, Trimethoxyamphetamine, alpha-Methylmescaline, .alpha.-Methylmescaline, dl-3,4,5-Trimethoxyamphetamine, Trimethoxyphenyl-beta-aminopropane, 3,4,5-Trimethoxyphenyl-beta-aminopropane, UNII-P2K02L3YON, 1-(3,4,5-trimethoxyphenyl)propan-2-amine, P2K02L3YON, Phenethylamine, 3,4,5-trimethoxy-.alpha.-methyl-, Phenethylamine, 3,4,5-trimethoxy-alpha-methyl-, Phenethylamine, alpha-methyl-3,4,5-trimethoxy-, Benzeneethanamine, 3,4,5-trimethoxy-alpha-methyl-, (+-)-1-(3,4,5-Trimethoxyphenyl)-2-aminopropane, CHEMBL30336, 3,4,5-TRIMETHOXYAMPHETAMINE, DL-, DTXSID00862529, Trimethoxyphenyl-.beta.-aminopropane, (+/-)-1-(3,4,5-Trimethoxyphenyl)-2-aminopropane, Benzeneethanamine, 3,4,5-trimethoxy-.alpha.-methyl-, J13.144J, 3,4,5-Trimethoxyphenyl-.beta.-aminopropane, 1-Methyl-2-(3,4,5-trimethoxyphenyl)ethylamine, Phenethylamine, .alpha.-methyl-3,4,5-trimethoxy-, NCGC00247675-01, Phenethylamine,, DEA No. 7390, TMA (PSYCHEDELIC), UNII-W9QX56V5RU, SCHEMBL394373, alpha-methyl-3,4,5-trimethoxy-, DTXCID80811277, (d,l)-3,4,5-Trimethoxyamphetamine, 3,4,5-Trimethoxyphenylisopropylamine, BDBM50005256, DB01516, BENZENE 1,2,4-TRICARBOXYLIC ACID, PD008814, 3,4,5-Trimethoxy-alpha-methylphenethylamine, NS00001100, C22747, 1-Methyl-2-(3,4,5-trimethoxy-phenyl)-ethylamine, 1-Methyl-2-(3,4,5-trimethoxyphenyl)ethylamine #, L000745, Q415688, (+/-)1-Methyl-2-(3,4,5-trimethoxy-phenyl)-ethylamine, Benzeneethanamine,3,4,5-trimethoxy-.alpha.-methyl-(.+/-.)-, Benzenethanamine, 3,4,5-trimethoxy-.alpha.-methyl-(.+/-.)- |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P28565, P08909, P14842, P30994 |
| Iupac Name | 1-(3,4,5-trimethoxyphenyl)propan-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C12H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WGTASENVNYJZBK-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.261 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.03 |
| Compound Name | 3,4,5-Trimethoxyamphetamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 225.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 225.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9465855999999997 |
| Inchi | InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3 |
| Smiles | CC(CC1=CC(=C(C(=C1)OC)OC)OC)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all