Phenylpropanolamine
PubChem CID: 10297
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| Compound Synonyms | (-)-Norephedrine, phenylpropanolamine, l-Norephedrine, 492-41-1, (-)-Norephedrin, Mydriatin, (1R,2S)-(-)-Norephedrine, l-Phenylpropanolamine, (1R,2S)-Norephedrine, L-(-)-Ephedrine, Propadrine, NOREPHEDRINE, (-)-, erythro-(1R,2S)-Norephedrine, Rhindecon, USAF CS-6, Mucron, (R,S)-(-)-Norephedrine, Super Odrinex, Phenylpropanolamina, Phenylpropanolaminum, (1R,2S)-2-Amino-1-phenyl-1-propanol, (1R,2S)-2-amino-1-phenylpropan-1-ol, (+-)-Norephedrine, (+/-)-Norephedrine, Phenylfenesin, Rinexin, Fansia, (-)-Phenylpropanolamine, Fenilpropanolamina, (+-)-Phenylpropanolamine, 14838-15-4, UNII-33RU150WUN, NSC 17704, erythro-2-Amino-1-phenyl-1-propanol, 33RU150WUN, dl-1-Phenyl-2-aminopropanol-1, HSDB 6485, NSC 9920, EINECS 211-850-9, EINECS 238-900-2, PPA [Nasal Decongestant], dl-Phenylpropanolamine, dl-2-Amino-1-hydroxy-1-phenylpropane, Benzyl alcohol, alpha-(1-aminoethyl)-, BRN 3196918, 1-Propanol, 2-amino-1-phenyl-, (-)-, 57B9YG5Y1E, CHEBI:80680, Phenylpropanolaminum [INN-Latin], Phenylpropanolamina [INN-Spanish], 4-13-00-01875 (Beilstein Handbook Reference), NSC17704, (R*,S*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol, (1R,2S)-PHENYLPROPANOLAMINE, Benzenemethanol, alpha-(1-aminoethyl)-, (R*,S*)-, NSC-17704, (1R,2S)-(-)-Norephedrine, 99%, Benzenemethanol, alpha-(1-aminoethyl)-, (R*,S*)-(+-)-, Benzyl alcohol,.alpha.-(1-aminoethyl)-, Phenylpropanolamine (INN), PPA (Nasal Decongestant), (+/-)-Phenylpropanolamine, PHENYLPROPANOLAMINE [INN], Phenylpropanolaminum (INN-Latin), Phenylpropanolamina (INN-Spanish), PHENYLPROPANOLAMINE (MART.), PHENYLPROPANOLAMINE [MART.], Benzenemethanol, .alpha.-((1S)-1-aminoethyl)-, (.alpha.R)-, Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.R)-, NSC-9920, beta-hydroxyamphetamine, Fenilpropanolamina [Italian], (+-)-Norephedrin, SR-05000001534, EINECS 207-755-7, CHEMBL136560, Phenylpropanolamine (VAN), DTXSID4023466, UNII-57B9YG5Y1E, 1-norephedrine, Phenylpropanolamine [INN:BAN], Phenylpropanolamin, Benzyl alcohol, alpha-(1-aminoethyl)-, (-)-, Fansia (TN), 1-(-)-ephedrine, PPA(ChemID), dl-alpha-(1-Aminoethyl)benzyl alcohol, dl-alpha-Hydroxy-beta-aminopropylbenzene, Benzenemethanol, alpha-((1S)-1-aminoethyl)-, (alphaR)-, Benzenemethanol, alpha-(1-aminoethyl)-, (R-(R*,S*))-, Spectrum_001103, Phenylpropanolamine1534, Spectrum2_000016, Spectrum3_000889, Spectrum4_000983, Spectrum5_001156, (1R,2S)- Norephedrine, Benzenemethanol, .alpha.-(1-aminoethyl)-, [R-(R*,S*)]-, WLN: ZY1&YQR -L, KBioGR_001385, KBioSS_001583, (R-(R*,S*))-alpha-(1-Aminoethyl)benzyl alcohol, SCHEMBL152038, (1s,2r)-2-hydroxy-2-phenyl-1-methyl-1-aminoethane, 1S,2R-PHENYLPROPANOLAMINE HYDROCHLORIDE, SPBio_000051, PHENYLPROPANOLAMINE, L-, (1r, 2s)-(-)-norephedrine, PHENYLPROPANOLAMINE [MI], KBio2_001583, KBio2_004151, KBio2_006719, KBio3_001778, DTXCID10820534, DTXSID10889348, PHENYLPROPANOLAMINE [HSDB], R01BA01, 1-Propanol, 2-amino-1-phenyl-, (1R, 2S)-(-)- norephedrine, HMS2090P12, PHENYLPROPANOLAMINE [VANDF], PHENYLPROPANOLAMINE, (-)-, (1R,2S)-(-)-Phenylpropanolamine, PHENYLPROPANOLAMINE [WHO-DD], PDSP1_001349, PDSP2_001333, AKOS015891206, CCG-214826, DB00397, dl-1-Phenyl-2-aminopropanol-1(ChemID), N0608, (1R,2S)-(-)-2-Amino-1-phenyl-1-propanol, Benzyl alcohol, alpha-(1-aminoethyl)-(ChemID), C07911, D08368, dl-2-Amino-1-hydroxy-1-phenylpropane(ChemID), AB01275538-01, (R*,S*)-(+-)-alpha-(1-Aminoethyl)benzenemethanol, SR-05000001534-1, SR-05000001534-2, (-)-ERYTHRO-2-AMINO-2-METHYL-1-PHENYLETHANOL, (R*,S*)-(+/-)-alpha-(1-Aminoethyl)benzenemethanol, Q26840801, SELEGILINE HYDROCHLORIDE IMPURITY C [EP IMPURITY], (R*,S*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol(ChemID), Benzenemethanol, alpha-((1R)-1-aminoethyl)-, (alphaS)-rel-, BENZENEMETHANOL, alpha-(1-AMINOETHYL)-, (R*,S*)-, (+/-), BENZENEMETHANOL, .ALPHA.-(1-AMINOETHYL)-, (R*,S*)-, (+/-)-, 238-900-2, InChI=1/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | O[C@H]cccccc6))))))[C@@H]N)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P10938, P43140, P18841, P23944, P35368, P25100, P35348, P15823, Q9NPD5, Q9Y6L6 |
| Iupac Name | (1R,2S)-2-amino-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT1788 |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H13NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLNKOYKMWOXYQA-CBAPKCEASA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.858 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.958 |
| Synonyms | (-)-nor-ephedrine, (-)-norephedrine, ephedrine, nor (-) |
| Esol Class | Very soluble |
| Functional Groups | CN, CO |
| Compound Name | Phenylpropanolamine |
| 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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.5782817636363633 |
| Inchi | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1 |
| Smiles | C[C@@H]([C@@H](C1=CC=CC=C1)O)N |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Eulophia Spectabilis (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all