(1S,2R)-(+)-Norephedrine
PubChem CID: 4786
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| Compound Synonyms | phenylpropanolamine, 2-Amino-1-phenyl-1-propanol, 48115-38-4, 2-amino-1-phenylpropan-1-ol, (1S,2R)-(+)-Norephedrine, Propadrine, alpha-(1-aminoethyl)benzyl alcohol, NSC-120735, UNII-683H0R9659, 2-Amino-2-methyl-1-phenylethanol, 2-Amino-1-hydroxy-1-phenylpropane, beta-Hydroxy-alpha-methylphenethylamine, Benzenemethanol, alpha-(1-aminoethyl)-, Benzenemethanol, .alpha.-(1-aminoethyl)-, 2-Amino-1-phenyl-propan-1-ol, Fenilpropanolamina, DTXSID70859305, 683H0R9659, 14838-15-4, 37577-28-9, Norpseudoephedrine, (+)-, CHEMBL136560, 2-Amino-1-phenyl-1-propanol #, Dexatrim, NSC-9920, Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-rel-, Norephedrine, (+), Norephedrine, (-), TAVIST-D, 1-phenyl-2-aminopropanol, Benzenemethanol, .alpha.-(1-aminoethyl)-, [R-(R*,S*)]-, SCHEMBL98589, Norephedrine, (.+/-.)-, CHEMBL61006, DivK1c_000795, 2-amino-1-phenylpropane-1-ol, (1s, 2r)-(+)-norephedrine, (1 S,2R)-(+)-norephedrine, KBio1_000795, DTXCID00196755, NINDS_000795, (1S, 2R )-(+)-norephedrine, (+)2-Amino-1-phenyl-propan-1-ol, BDBM50022722, NSC120735, AKOS015891154, benzene, (2-amino-1-hydroxy)propyl-, IDI1_000795, 58550-13-3, Pseudonorephedrine, (+) [cathine, (+)], Pseudonorephedrine, (-) [cathine, (-)], BENZENEMETHANOL, A-(1-AMINOETHYL)-, DB-042930, DB-069567, DB-227181, DS-010163, (1R, 2R)-2-Amino-1-phenyl-propan-1-ol, (1R, 2S)-2-Amino-1-phenyl-propan-1-ol, (1S, 2R)-2-Amino-1-phenyl-propan-1-ol, (1S, 2S)-2-Amino-1-phenyl-propan-1-ol, NS00007879, L001077, Benzenemethanol, .alpha.-(1-aminoethyl)-, (R*,S*)-(.+/-.)-, 628-077-1 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT222 |
| Xlogp | 0.8 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Molecular Formula | C9H13NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLNKOYKMWOXYQA-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.521 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.761 |
| Synonyms | Triaminic DM, Norephedrine, Phenylpropanolamine hydrochloride, Prolamine, Dexatrim, Hydrochloride, phenylpropanolamine, Propagest |
| Compound Name | (1S,2R)-(+)-Norephedrine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 151.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.572032163636363 |
| Inchi | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 |
| Smiles | CC(C(C1=CC=CC=C1)O)N |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients