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    CAS 127641-25-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 127641-25-2, (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol, 4r3uv0b3de, Wis9q321lw, (1r,2s)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol
    Molecular Formula
    C13H19NO
    Molecular Weight
    205.30  g/mol
    InChI Key
    FZVHJGJBJLFWEX-AAEUAGOBSA-N
    FDA UNII
    WIS9Q321LW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
    2.1.2 InChI
    InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
    2.1.3 InChI Key
    FZVHJGJBJLFWEX-AAEUAGOBSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)N2CCCC2
    2.1.5 Isomeric SMILES
    C[C@@H]([C@@H](C1=CC=CC=C1)O)N2CCCC2
    2.2 Other Identifiers
    2.2.1 UNII
    WIS9Q321LW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 127641-25-2

    2. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol

    3. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol

    4. 4r3uv0b3de

    5. Wis9q321lw

    6. (1r,2s)-1-phenyl-2-pyrrolidin-1-yl-propan-1-ol

    7. (1r,2s)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol

    8. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1r,2s)-

    9. (1r,2s)-2-pyrrolidino-1-phenyl-1-propanol

    10. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol, Threo-

    11. (1r,2s)-(+)-2-(1-pyrrolidyl)-1-phenylpropan-1-ol

    12. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphar,betas)-

    13. (1r,2s)-n,n-tetramethylenenorephedrine

    14. Mfcd01632702

    15. Unii-4r3uv0b3de

    16. Unii-wis9q321lw

    17. Schembl597166

    18. Dtxsid60446061

    19. (1s,2r)-n-tosylephedrine

    20. Zinc5019066

    21. Akos015840428

    22. Akos015904312

    23. Cs-w015370

    24. As-68392

    25. Threo-dihydro-alpha-pyrrolidinopropiophenone

    26. P1374

    27. (1r,2s)-1-phenyl-2-pyrrolizino-1-propanol

    28. (+)-threo-dihydro-alpha-pyrrolidinopropiophenone

    29. A889167

    30. J-005517

    31. Threo-dihydro-.alpha.-pyrrolidinopropiophenone

    32. (+)-threo-dihydro-.alpha.-pyrrolidinopropiophenone

    33. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)-1-propanol, 98%

    34. (alphar,betas)-beta-methyl-alpha-phenyl-1-pyrrolidineethanol

    35. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (r*,s*)-(+/-)-

    36. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (r-(r*,s*))-

    37. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, (alphar,betas)-rel-

    38. (.alpha.r,.beta.s)-.beta.-methyl-.alpha.-phenyl-1-pyrrolidineethanol

    39. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (.alpha.r,.beta.s)-

    40. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (.alpha.r,.beta.s)-rel-

    41. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (r*,s*)-(+/-)-

    42. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, (r-(r*,s*))-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 205.30 g/mol
    Molecular Formula C13H19NO
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass205.146664230 g/mol
    Monoisotopic Mass205.146664230 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity183
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1