N-Methylephedrine
PubChem CID: 4374
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| Compound Synonyms | N-Methylephedrine, Methylephedrine, Methylephedrin, 17605-71-9, 2-(dimethylamino)-1-phenylpropan-1-ol, Methylephedrin [German], 1-Phenyl-2-dimethylaminopropanol, 2-(Dimethylamino)-1-phenyl-1-propanol, (1R,2S)-(-)-N-Methylephedrine, BENZYL ALCOHOL, alpha-(1-(DIMETHYLAMINO)ETHYL)-, (-)-N-Methylephedrine, L-N-METHYLEPHEDRINE HYDROCHLORIDE, 99, (-)-methylephedrine, 1201-56-5, DL-Methylephedrine hydrochloride, N-METHYLEPHEDRINE [MI], n-methyl-ephedrine, (1Rs,2Rs)-2-dimethylamino-1-phenylpropan-1-ol, N,N-Dimethylnorephedrine, SCHEMBL99674, CHEMBL4792285, CHEBI:90046, DTXSID70859481, AAA55279, AKOS003382393, DB-050860, DB-051881, NS00080752, Benzyl alcohol, .alpha.-(1-(dimethylamino)ethyl)-, Erythro-alpha-[1-(dimethylamino)ethyl]benzyl alcohol, Q27162269, benzene, 1-(2-dimethylamino-1-hydroxy)ethyl-4-hydroxy-, N,N-Dimethylnorephedrine2-dimethylamino-1-phenylpropanol, Benzenemethanol, .alpha.-[1-(dimethylamino)ethyl]-, [R-(R*,S*)]-, N-Methylephedrine, its salts, optical isomers, and salts of optical isomers (N-Methylephedrine) |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(dimethylamino)-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.7 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Molecular Formula | C11H17NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | FMCGSUUBYTWNDP-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.866 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 1.328 |
| Synonyms | (1R,2S)-(-)-N-Methylephedrine, (1Rs,2Rs)-2-Dimethylamino-1-phenylpropan-1-ol, DL-Methylephedrine hydrochloride, Erythro-alpha-[1-(dimethylamino)ethyl]benzyl alcohol, L-Methylephedrine hydrochloride, Methylephedrin, N,N-Dimethylnorephedrine, N,N-Dimethylnorephedrine2-dimethylamino-1-phenylpropanol, N-Methylephedrine, N-Methylephedrine hydrochloride, (r*,s*)-(+-)-isomer, N-Methylephedrine hydrochloride, (S-(r*,r*))-isomer, N-Methylephedrine hydrochloride, (r*,r*)-(+-)-isomer, N-Methylephedrine hydrochloride, (r*,s*)-isomer, N-Methylephedrine, (r*,s*)-(+-)-isomer, N-Methylephedrine, (r*,s*)-isomer, Methylpseudoephedrine, N-Methylephedrine, (R-(r*,s*))-isomer, N-Methylephedrine hydrochloride, (R-(r*,s*))-isomer, N-Methylephedrine, (r*,r*)-isomer, N-Methylephedrine, (S-(r*,r*))-isomer, Methylephedrine |
| Compound Name | N-Methylephedrine |
| Kingdom | Organic compounds |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.1659690615384615 |
| Inchi | InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3 |
| Smiles | CC(C(C1=CC=CC=C1)O)N(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenylpropanes |
- 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:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all