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    CAS 1860-67-9

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    CAS 1860-67-9
    Also known as: 1860-67-9, 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-1-propanone, 1-propanone, 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-, Dtxsid60865753, 1-[4-(benzyloxy)phenyl]-2-[(1-phenoxypropan-2-yl)amino]propan-1-one
    Molecular Formula
    C25H27NO3
    Molecular Weight
    389.5  g/mol
    InChI Key
    HFVZRDLXEWWXDI-UHFFFAOYSA-N
    1 2D Structure

    CAS 1860-67-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1-phenoxypropan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C25H27NO3/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21/h3-16,19-20,26H,17-18H2,1-2H3
    2.1.3 InChI Key
    HFVZRDLXEWWXDI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(COC1=CC=CC=C1)NC(C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1860-67-9

    2. 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-1-propanone

    3. 1-propanone, 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-

    4. Dtxsid60865753

    5. 1-[4-(benzyloxy)phenyl]-2-[(1-phenoxypropan-2-yl)amino]propan-1-one

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 389.5 g/mol
    Molecular Formula C25H27NO3
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area47.6
    Heavy Atom Count29
    Formal Charge0
    Complexity463
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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