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  • [Synonyms]
    F 1619
    LS-103696
    alpha-Methyl-N-(3,4,5-trimethoxybenzyl)phenethylamine hydrochloride
    Phenethylamine, alpha-methyl-N-(3,4,5-trimethoxybenzyl)-, hydrochloride
    Benzeneethanamine, alpha-methyl-N-((3,4,5-trimethoxyphenyl)methyl)-, hydrochloride
    Benzeneethanamine, alpha-methyl-N-((3,4,5-trimethoxyphenyl)methyl)-, hydrochloride (9CI)
    13174-16-8

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight351.86764 [g/mol]
    Molecular FormulaC19H26ClNO3
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count8
    Exact Mass351.160121
    MonoIsotopic Mass351.160121
    Topological Polar Surface Area39.7
    Heavy Atom Count24
    Formal Charge0
    Complexity306
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine hydrochloride
    Canonical SMILES: CC(CC1=CC=CC=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl
    InChI: InChI=1/C19H25NO3.ClH/c1-14(10-15-8-6-5-7-9-15)20-13-16-11-17(21-2)19
    (23-4)18(12-16)22-3;/h5-9,11-12,14,20H,10,13H2,1-4H3;1H



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