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    CAS 20059-73-8

    PharmaCompass
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    2D Structure
    Also known as: 20059-73-8, 2-(4-(aminomethyl)phenoxy)-n,n-dimethylethanamine, P-(2-(dimethylamino)ethoxy)benzylamine, 2-[4-(aminomethyl)phenoxy]-n,n-dimethylethanamine, 4-(2-dimethylamino)ethoxy-benzylamine, 4-(2-dimethylamino)-ethoxybenzylamine
    Molecular Formula
    C11H18N2O
    Molecular Weight
    194.27  g/mol
    InChI Key
    OBHPRQNPNGQGCK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine
    2.1.2 InChI
    InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
    2.1.3 InChI Key
    OBHPRQNPNGQGCK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCOC1=CC=C(C=C1)CN
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 20059-73-8

    2. 2-(4-(aminomethyl)phenoxy)-n,n-dimethylethanamine

    3. P-(2-(dimethylamino)ethoxy)benzylamine

    4. 2-[4-(aminomethyl)phenoxy]-n,n-dimethylethanamine

    5. 4-(2-dimethylamino)ethoxy-benzylamine

    6. 4-(2-dimethylamino)-ethoxybenzylamine

    7. [2-(4-aminomethyl-phenoxy)-ethyl]-dimethyl-amine

    8. P-[2-(dimethylamino)ethoxy]benzylamine

    9. 4-[2-(dimethylamino) Ethoxy] Benzylamine

    10. Benzenemethanamine, 4-[2-(dimethylamino)ethoxy]-

    11. {4-[2-(dimethylamino)ethoxy]phenyl}methanamine

    12. Mfcd01075231

    13. 4-(2-(dimethylamino)ethoxy)benzylamine

    14. (4-[2-(dimethylamino)ethoxy]phenyl)methanamine

    15. Einecs 243-491-9

    16. Schembl110426

    17. Schembl4607528

    18. Dtxsid10173870

    19. Zinc1670264

    20. 4-(2-dimethylaminoethoxy)benzylamine

    21. 4-(2-dimethylaminoethoxy)benzyl Amine

    22. Akos000131378

    23. Am84687

    24. Cs-w002738

    25. Mb01683

    26. 4-(2-dimethylamino)-ethoxy-benzylamine

    27. 4-[2-(dimethylamino)ethoxy] Benzylamine

    28. 4-[2-(dimethylamino)ethoxy]-benzylamine

    29. 4-[2-(dimethylamino)ethoxy]benzyl Amine

    30. Ac-15247

    31. Ds-16636

    32. Sy005516

    33. 4-[(2-dimethylamino) Ethoxy] Benzylamine

    34. Db-045073

    35. Ft-0617303

    36. 4-[2-(dimethylamino)ethoxy]benzenemethanamine

    37. En300-43395

    38. 059d738

    39. 4-(2-dimethylamino)-ethoxybenzylamine, Aldrichcpr

    40. W-107654

    41. N-(2-[4-(aminomethyl)phenoxy]ethyl)-n,n-dimethylamine

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 194.27 g/mol
    Molecular Formula C11H18N2O
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass194.141913202 g/mol
    Monoisotopic Mass194.141913202 g/mol
    Topological Polar Surface Area38.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity142
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1