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    CAS 43229-65-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 43229-65-8, 1-(4-methoxyphenyl)-2-benzylaminopropane, 1-(4-methoxyphenyl)-2-(benzylamino)propane, 4-methoxy-a-methyl-n-(phenylmethyl)benzeneethanamine, N-benzyl-1-(4-methoxyphenyl)-2-propanamine, N-benzyl-4-methoxy-alpha-methylphenethylamine
    Molecular Formula
    C17H21NO
    Molecular Weight
    255.35  g/mol
    InChI Key
    CVGPWMGXKOKNFD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-1-(4-methoxyphenyl)propan-2-amine
    2.1.2 InChI
    InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3
    2.1.3 InChI Key
    CVGPWMGXKOKNFD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC=C(C=C1)OC)NCC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 43229-65-8

    2. 1-(4-methoxyphenyl)-2-benzylaminopropane

    3. 1-(4-methoxyphenyl)-2-(benzylamino)propane

    4. 4-methoxy-a-methyl-n-(phenylmethyl)benzeneethanamine

    5. N-benzyl-1-(4-methoxyphenyl)-2-propanamine

    6. N-benzyl-4-methoxy-alpha-methylphenethylamine

    7. Einecs 256-155-1

    8. 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine

    9. Benzyl[1-(4-methoxyphenyl)propan-2-yl]amine

    10. Schembl593666

    11. Dtxsid00962972

    12. Bcp12401

    13. Cs-m1164

    14. Mfcd00025847

    15. Akos005889448

    16. Ds-4164

    17. Ac-22048

    18. 1-(4'-methoxyphenyl)-2-benzylaminopropane

    19. Db-051060

    20. 2-(benzylamino)-1-(4-methoxyphenyl)propane

    21. Ft-0608730

    22. Ft-0700686

    23. 2-(benzylamino)-1-(4-methoxyphenyl)-propane

    24. F31291

    25. 229m658

    26. A826229

    27. N-benzyl-n-(4-methoxy-alpha-methylphenethyl)amine

    28. N-benzyl-n-(1-methyl-2-p-methoxyphenylethyl) Amine

    29. W-106238

    30. [2-(4-methoxyphenyl)-1-methylethyl](phenylmethyl)amine

    31. Benzeneethanamine, 4-methoxy-a-methyl-n-(phenylmethyl)-

    32. Racemic 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine

    33. Racemic 4-methoxy-alpha-methyl-n-(phenylmethyl)benzene Ethanamine

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 255.35 g/mol
    Molecular Formula C17H21NO
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area21.3
    Heavy Atom Count19
    Formal Charge0
    Complexity229
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1