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Norpseudoephedrine, (-)-

PubChem CID: 162265

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Compound Synonyms (-)-NORPSEUDOEPHEDRINE, Norpseudoephedrine, 37577-07-4, (1R,2R)-2-amino-1-phenylpropan-1-ol, l-Pseudonorephedrine, L-Norpseudoephedrine, NORPSEUDOEPHEDRINE, (-)-, QQ0FVC4PXS, (R,R)-(-)-Norpseudoephedrine, l-Nor-psi-ephedrine, NORPSEUDOEPHEDRINE, L-, CHEBI:8104, CHEMBL1788114, (-)-threo-2-Amino-2-methyl-1-phenylethanol, DTXSID001045718, (1R,2R)-PSEUDONOREPHEDRINE, l-Nor-psi-ephedrin [German], (R-(R*,R*))-alpha-(1-Aminoethyl)benzenemethanol, Benzenemethanol, alpha-((1R)-1-aminoethyl)-, (alphaR)-, (1R,2R)-2-amino-1-phenyl-propan-1-ol, Fenilpropanolamina, phenylpropanolamine, Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-, BENZENEMETHANOL, .ALPHA.-((1R)-1-AMINOETHYL)-, (.ALPHA.R)-, beta-hydroxyamphetamine, UNII-QQ0FVC4PXS, 2-Amino-1-phenyl-1-propanol #, Prestwick0_000324, Prestwick1_000324, Prestwick2_000324, SCHEMBL125333, SPBio_002248, Benzenemethanol, .alpha.-(1-aminoethyl)-, [R-(R*,R*)]-, DTXCID501028660, 14838-15-4, BDBM50367603, PDSP1_001354, PDSP2_001338, PD017909, NS00098695, Q6456100, (1R,2R)-(-)-Norpseudoephedrine, >=98.0% (NT), [R-(R*,R*)]-.alpha.-(1-Aminoethyl)benzenemethanol
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
Iupac Name (1R,2R)-2-amino-1-phenylpropan-1-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 0.8
Gsk 4 400 Rule True
Molecular Formula C9H13NO
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 1.0
Inchi Key DLNKOYKMWOXYQA-APPZFPTMSA-N
Silicos It Class Soluble
Fcsp3 0.3333333333333333
Logs -0.473
Rotatable Bond Count 2.0
Logd 0.864
Synonyms ephedrine, pseudo, nor, ephedrine, pseudo, nor (+), n-norpseudoephedrine, nor-psi-ephedrine
Esol Class Very soluble
Functional Groups CN, CO
Compound Name Norpseudoephedrine, (-)-
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 -1.572032163636363
Inchi InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/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

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