2-Aminopropiophenone
PubChem CID: 107786
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Aminopropiophenone, 5265-18-9, 2-Amino-1-phenyl-1-propanone, 2-amino-1-phenylpropan-1-one, Cathinine, (+/-)-Cathinone, dl-Cathinone, 1-Propanone, 2-amino-1-phenyl-, (-)-alpha-Amino-propiophenone, 2-Amino-2-methylacetophenone, CX1Z9618HE, CHEBI:59332, HSDB 7996, Abyssiniantea, Bathtabspeed, Looderstar, Ephedrane, Cath, Chat, Knat, Quat, African Tea, Cadillac Express, The C, Cathinone, (-), UR-1425, Propiophenone, 2-amino-, NCGC00247670-01, 1-aminoethyl phenyl ketone, CHEMBL1124, UNII-CX1Z9618HE, SCHEMBL1050427, CATHINONE, (+/-)-, BDBM86286, DTXSID20860921, PUAQLLVFLMYYJJ-UHFFFAOYSA-N, CAS_62258, NSC_62258, STK895047, AKOS003351826, AKOS017258658, UR 1425, NCGC00247670-04, NS00096400, NS00096431, C22700, AB01323387-02, Q27126636 |
|---|---|
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P28565, n.a. |
| Iupac Name | 2-amino-1-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 1.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Molecular Formula | C9H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | PUAQLLVFLMYYJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.1 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.605 |
| Synonyms | 1-Aminoethyl phenyl ketone, (-)-alpha-Amino-propiophenone, 2-Amino-1-phenyl-1-propanone, alpha-Aminopropiophenone, Cathinine, Cathinone, Cathinone hydrochloride, Cathinone hydrochloride, (+-)-isomer, Cathinone hydrochloride, (R)-isomer, Cathinone hydrochloride, (S)-isomer, Cathinone, (+-)-isomer, Cathinone, (S)-isomer |
| Compound Name | 2-Aminopropiophenone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.7296329636363634 |
| Inchi | InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3 |
| Smiles | CC(C(=O)C1=CC=CC=C1)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alkyl-phenylketones |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all