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  • [Synonyms]
    PUT 108
    LS-57786
    3,3-Bis(4-chlorophenyl)cyclopentanamine hydrochloride
    1-Amino-3,3-di(4-chlorophenyl)cyclopentane hydrochloride
    Cyclopentanamine, 3,3-bis(4-chlorophenyl)-, hydrochloride
    39617-48-6

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight342.69052 [g/mol]
    Molecular FormulaC17H18Cl3N
    H-Bond Donor2
    H-Bond Acceptor1
    Rotatable Bond Count2
    Exact Mass341.050483
    MonoIsotopic Mass341.050483
    Topological Polar Surface Area26
    Heavy Atom Count21
    Formal Charge0
    Complexity295
    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: 3,3-bis(4-chlorophenyl)cyclopentan-1-amine hydrochloride
    Canonical SMILES: C1CC(CC1N)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.Cl
    InChI: InChI=1/C17H17Cl2N.ClH/c18-14-5-1-12(2-6-14)17(10-9-16(20)11-17)13-3-7-
    15(19)8-4-13;/h1-8,16H,9-11,20H2;1H



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