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    CAS 22990-19-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 22990-19-8, 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, 1,2,3,4-tetrahydro-1-phenylisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, Bas 01118689, Chembl21465
    Molecular Formula
    C15H15N
    Molecular Weight
    209.29  g/mol
    InChI Key
    PRTRSEDVLBBFJZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-phenyl-1,2,3,4-tetrahydroisoquinoline
    2.1.2 InChI
    InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2
    2.1.3 InChI Key
    PRTRSEDVLBBFJZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNC(C2=CC=CC=C21)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2,3,4-tetrahydro-1-phenylisoquinoline

    2. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride

    3. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (+)-isomer

    4. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (+-)-isomer

    5. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (-)-isomer

    6. Phenyl-tiq

    2.2.2 Depositor-Supplied Synonyms

    1. 22990-19-8

    2. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline

    3. 1,2,3,4-tetrahydro-1-phenylisoquinoline

    4. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-

    5. Bas 01118689

    6. Chembl21465

    7. Mfcd02179241

    8. (s)-1,2,3,4-tetrahydro-1-phenylisoquinoline

    9. Phenyl-tiq

    10. Mfcd08692036

    11. Nsc338399

    12. Schembl327233

    13. Schembl12046710

    14. Amy40172

    15. Bcp12873

    16. Bcp14564

    17. Cs-b0307

    18. Ac-685

    19. Bdbm50017035

    20. Stl253537

    21. Akos000272849

    22. Akos016040456

    23. Nsc 338399

    24. Nsc-338399

    25. Sb31601

    26. Sb34419

    27. Sb35629

    28. Ncgc00245237-01

    29. As-15682

    30. Sy025337

    31. Sy030993

    32. Db-008991

    33. A4871

    34. Ft-0603857

    35. Ft-0638277

    36. Ft-0689458

    37. P2056

    38. En300-72483

    39. Rac 1-phenyl-1,2,3,4-tetrahydroisoquinoline

    40. A18116

    41. 990p198

    42. A816462

    43. Racemic 1-phenyl-1,2,3,4-tetrahydro-isoquinoline

    44. Q-101004

    45. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, Aldrichcpr

    46. Z1741966190

    47. 1-phenyl-1,2,3,4-tetrahydroisoquinoline;1-phenyl-1,2,3,4-tetrahydro-isoquinoline

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 209.29 g/mol
    Molecular Formula C15H15N
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass209.120449483 g/mol
    Monoisotopic Mass209.120449483 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1