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    BUILDING BLOCK

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    Chemistry

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    Also known as: N,o-dibenzyl-tyramine, 32293-42-8, Chembl425579, Benzyl-[2-(4-benzyloxyphenyl)-ethyl]-amine, Lauricacidn-amylester, Schembl2587466
    Molecular Formula
    C22H23NO
    Molecular Weight
    317.4  g/mol
    InChI Key
    XBGMECOKYONDPM-UHFFFAOYSA-N
    CAS 32293-42-8
    1 2D Structure

    CAS 32293-42-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-2-(4-phenylmethoxyphenyl)ethanamine
    2.1.2 InChI
    InChI=1S/C22H23NO/c1-3-7-20(8-4-1)17-23-16-15-19-11-13-22(14-12-19)24-18-21-9-5-2-6-10-21/h1-14,23H,15-18H2
    2.1.3 InChI Key
    XBGMECOKYONDPM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CNCCC2=CC=C(C=C2)OCC3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. N,o-dibenzyl-tyramine

    2. 32293-42-8

    3. Chembl425579

    4. Benzyl-[2-(4-benzyloxyphenyl)-ethyl]-amine

    5. Lauricacidn-amylester

    6. Schembl2587466

    7. Dtxsid30329751

    8. Zinc1564849

    9. Bdbm50181804

    10. Akos015965302

    11. N-benzyl-2-(4-(benzyloxy)phenyl)ethan-1-amine

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 317.4 g/mol
    Molecular Formula C22H23NO
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area21.3
    Heavy Atom Count24
    Formal Charge0
    Complexity312
    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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