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    CAS 105601-04-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 105601-04-5, 3-(1-(dimethylamino)ethyl)phenol, 3-(1-(dimethylamino)ethyl]phenol, Phenol, 3-[1-(dimethylamino)ethyl]-, 3-[(1s)-1-(dimethylaminoethyl)]phenol, 3-(1-dimethylaminoethyl)phenol
    Molecular Formula
    C10H15NO
    Molecular Weight
    165.23  g/mol
    InChI Key
    GQZXRLWUYONVCP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[1-(dimethylamino)ethyl]phenol
    2.1.2 InChI
    InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3
    2.1.3 InChI Key
    GQZXRLWUYONVCP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC=C1)O)N(C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-(1-dimethylaminoethyl)phenol

    2. Nap 226-90

    3. Nap-226-90

    4. Nap226-90

    2.2.2 Depositor-Supplied Synonyms

    1. 105601-04-5

    2. 3-(1-(dimethylamino)ethyl)phenol

    3. 3-(1-(dimethylamino)ethyl]phenol

    4. Phenol, 3-[1-(dimethylamino)ethyl]-

    5. 3-[(1s)-1-(dimethylaminoethyl)]phenol

    6. 3-(1-dimethylaminoethyl)phenol

    7. Mfcd08272688

    8. Phenol,3-[1-(dimethylamino)ethyl]-

    9. Mfcd06656491

    10. Dipropylmaleate

    11. Rivastigmine Intermediates

    12. Schembl43343

    13. Bdbm10630

    14. Dtxsid20328334

    15. 3-(1-dimethylamino-ethyl)-phenol

    16. Hms3604c09

    17. Stl450948

    18. Akos015850703

    19. Ac-3488

    20. Mb03878

    21. Sb44524

    22. Sb76291

    23. Sy067144

    24. Sy102287

    25. (+/-)-3-(1-(dimethylamino)ethyl)phenol

    26. Db-012764

    27. Am20080966

    28. Cs-0154112

    29. D5326

    30. Ft-0642603

    31. Ft-0649363

    32. Ft-0658969

    33. Ft-0667382

    34. Ft-0672608

    35. 3-[1-(dimethylamino)ethyl]phenol, Aldrichcpr

    36. 601d045

    37. A801275

    38. Q-101325

    39. N,n-dimethyl-n-[1-(3'-hydroxyphenyl)ethyl]amine;zns 114-666

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 165.23 g/mol
    Molecular Formula C10H15NO
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass165.115364102 g/mol
    Monoisotopic Mass165.115364102 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1