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  • [Synonyms]
    (-)-5-m-Hydroxyphenyl-2-methylmorphan
    LS-104829
    (-)-m-(2-Methyl-2-azabicyclo(3.3.1)non-5-yl)phenol
    Phenol, 3-(2-methyl-2-azabicyclo(3.3.1)non-5-yl)-, (-)-
    Phenol, m-(2-methyl-2-azabicyclo(3.3.1)non-5-yl)-, (-)-
    28623-84-9

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight231.33334 [g/mol]
    Molecular FormulaC15H21NO
    XLogP2.8
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count1
    Tautomer Count3
    Exact Mass231.162314
    MonoIsotopic Mass231.162314
    Topological Polar Surface Area23.5
    Heavy Atom Count17
    Formal Charge0
    Complexity280
    Isotope Atom Count0
    Defined Atom StereoCenter Count2
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-[(1S,5R)-4-methyl-4-azabicyclo[3.3.1]nonan-1-yl]phenol
    Canonical SMILES: CN1CCC2(CCCC1C2)C3=CC(=CC=C3)O
    Isomeric SMILES: CN1CC[C@]2(CCC[C@@H]1C2)C3=CC(=CC=C3)O
    InChI: InChI=1/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,
    4,6,10,13,17H,3,5,7-9,11H2,1H3/t13-,15+/m1/s1



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