4-Ethoxyamphetamine
PubChem CID: 125379
Connections displayed (default: 10).
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| Compound Synonyms | 4-Ethoxyamphetamine, dl-p-Ethoxyamphetamine, 1-(4-ethoxyphenyl)propan-2-amine, 129476-58-0, 135014-85-6, UNII-C1417507NO, C1417507NO, CHEMBL161985, DTXSID40926412, Benzeneethanamine, 4-ethoxy-alpha-methyl-, (+-)-, 4-ETHOXYAMPHETAMINE, (+/-)-, 4-ETHOXY-.ALPHA.-METHYLBENZENEETHANAMINE, BENZENEETHANAMINE, 4-ETHOXY-.ALPHA.-METHYL-, Benzeneethanamine, 4-ethoxy-alpha-methyl-, SCHEMBL2553013, DTXCID301355227, BDBM50005270, 1-(4-Ethoxyphenyl)-2-propanamine #, AKOS000155579, AKOS016298265, AKOS017269155, PD178987, 2-(4-Ethoxy-phenyl)-1-methyl-ethylamine, 4-ETHOXY-ALPHA-METHYLBENZENEETHANAMINE, Q7133613 |
|---|---|
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08909, P14842, P21396, P19643 |
| Iupac Name | 1-(4-ethoxyphenyl)propan-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C11H17NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | CCAMEVFYMFXHEN-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.158 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.06 |
| Compound Name | 4-Ethoxyamphetamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 179.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 179.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.377169061538461 |
| Inchi | InChI=1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3 |
| Smiles | CCOC1=CC=C(C=C1)CC(C)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