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    CAS 79560-20-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 79560-20-6, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenimine, N-(4(3,4-dichlorophenyl)-3,4-dihydro-1(2h)naphthalidene) methanamine, 5-bromo-6-methylpyrimidine, 4-(3,4-dichlorophenyl)-n-methyl-tetralin-1-imine, Schembl2778648
    Molecular Formula
    C17H15Cl2N
    Molecular Weight
    304.2  g/mol
    InChI Key
    MGBVAZJASCWJGJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine
    2.1.2 InChI
    InChI=1S/C17H15Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12H,7,9H2,1H3
    2.1.3 InChI Key
    MGBVAZJASCWJGJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN=C1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 79560-20-6

    2. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenimine

    3. N-(4(3,4-dichlorophenyl)-3,4-dihydro-1(2h)naphthalidene) Methanamine

    4. 5-bromo-6-methylpyrimidine

    5. 4-(3,4-dichlorophenyl)-n-methyl-tetralin-1-imine

    6. Schembl2778648

    7. Schembl2778650

    8. Dtxsid90430872

    9. N-(4(3,4-dichlorophenyl)-3,4-dihydro-1(2h)naphthalidene)methanamine

    10. Akos015965560

    11. Ac-20507

    12. Ft-0727019

    13. 1-(methylimino)-4-(3,4-dichlorophenyl)tetralin

    14. A839716

    15. 4-(3,4-dichlorophenyl)-3,4-dihydro-n-methyl-1(2h)-naphthalenimine

    16. (1e)-4-(3,4-dichlorophenyl)-n-methyl-3,4-dihydronaphthalen-1(2h)-imine

    17. 4-(3,4-dichlorophenyl)-3,4-dihydro-n-methyl-1 (2h)-naphthalenimine

    18. N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h) Naphthalenylidene]methanamine

    19. N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenylidene]methanamine

    20. N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)naphthalenylidene]methanamine

    21. (z)-n-(4-(3,4-dichlorophenyl)-3,4-dihydronaphthalen-1(2h)-ylidene)methanamine

    22. 4-(3,4-dichlorophenyl)-n-methyl-3,4-dihydro-2h-naphthalen-1-imine,hydrochloride

    23. N-((1e)-4-(3,4-dichlorophenyl)-3,4-dihydro-1(2h)-naphthalenylidene)methanamine

    24. N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1 (2h) Naphthalenylidene]methanamine

    25. N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1-(2h) Naphthalenylidene]methanamine

    26. N-[4-(3,4-dichlorophenyl)-3,4-dihydro-1-(2h)-naphthalenylidene]-methanamine

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 304.2 g/mol
    Molecular Formula C17H15Cl2N
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass303.0581549 g/mol
    Monoisotopic Mass303.0581549 g/mol
    Topological Polar Surface Area12.4 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity368
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1