2,3-Dimethoxyamphetamine
PubChem CID: 91255
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| Compound Synonyms | 2,3-Dimethoxyamphetamine, 15402-81-0, P5Z6ZU6N7S, CHEMBL280855, Benzeneethanamine,2,3-dimethoxy-.alpha.-methyl-, Benzeneethanamine, 2,3-dimethoxy-alpha-methyl-, UNII-P5Z6ZU6N7S, 1-(2,3-dimethoxyphenyl)propan-2-amine, SCHEMBL729393, DTXSID20934898, DHLWJXGSZDJWKK-UHFFFAOYSA-N, BDBM50091080, AKOS000152288, 2,3-DIMETHOXYPHENYLISOPROPYLAMINE, 1-(2,3-Dimethoxyphenyl)-2-propanamine #, Q2506164, (+/-)2-(2,3-Dimethoxy-phenyl)-1-methyl-ethylamine, PHENETHYLAMINE, 2,3-DIMETHOXY-.ALPHA.-METHYL-, BENZENEETHANAMINE, 2,3-DIMETHOXY-.ALPHA.-METHYL- |
|---|---|
| Topological Polar Surface Area | 44.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P28565, P14842, P08909, P30994 |
| Iupac Name | 1-(2,3-dimethoxyphenyl)propan-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H17NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DHLWJXGSZDJWKK-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.093 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.145 |
| Compound Name | 2,3-Dimethoxyamphetamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 195.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 195.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0424672571428566 |
| Inchi | InChI=1S/C11H17NO2/c1-8(12)7-9-5-4-6-10(13-2)11(9)14-3/h4-6,8H,7,12H2,1-3H3 |
| Smiles | CC(CC1=C(C(=CC=C1)OC)OC)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all