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    BUILDING BLOCK

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    Chemistry

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    Also known as: 3246-03-5, N-benzyl-2-(2-methoxyphenoxy)ethanamine, Skf-106025, N-[2-(2-methoxyphenoxy)ethyl]benzyl amine, J896qs59ik, Skf 106025
    Molecular Formula
    C16H19NO2
    Molecular Weight
    257.33  g/mol
    InChI Key
    SZDYRZVWNVIYGO-UHFFFAOYSA-N
    FDA UNII
    J896QS59IK
    CAS 3246-03-5
    1 2D Structure

    CAS 3246-03-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-2-(2-methoxyphenoxy)ethanamine
    2.1.2 InChI
    InChI=1S/C16H19NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
    2.1.3 InChI Key
    SZDYRZVWNVIYGO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC=C1OCCNCC2=CC=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    J896QS59IK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3246-03-5

    2. N-benzyl-2-(2-methoxyphenoxy)ethanamine

    3. Skf-106025

    4. N-[2-(2-methoxyphenoxy)ethyl]benzyl Amine

    5. J896qs59ik

    6. Skf 106025

    7. Benzenemethanamine, N-(2-(2-methoxyphenoxy)ethyl)-

    8. Benzyl[2-(2-methoxyphenoxy)ethyl]amine

    9. Unii-j896qs59ik

    10. Schembl2909008

    11. Dtxsid80186199

    12. Zinc20275093

    13. Akos005294685

    14. Sb82060

    15. Benzyl-[2-(2-methoxy-phenoxy)-ethyl]-amine

    16. Ft-0671321

    17. Q27281347

    18. Z86155779

    2.4 Create Date
    2006-10-28
    3 Chemical and Physical Properties
    Molecular Weight 257.33 g/mol
    Molecular Formula C16H19NO2
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass257.141578849 g/mol
    Monoisotopic Mass257.141578849 g/mol
    Topological Polar Surface Area30.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity229
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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