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    API Import of (1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochromane obtained from Indian Customs Trade Statistics

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    Chemistry

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    Also known as: 129050-27-7, (1s)-2-(benzylamino)-1-[(2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl]ethanol, (1s)-2-(benzylamino)-1-((2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)ethanol, Ec 603-316-2, Schembl2289517, Dtxsid30648373
    Molecular Formula
    C18H20FNO2
    Molecular Weight
    301.4  g/mol
    InChI Key
    UWHPUMRASBVSQY-FUHWJXTLSA-N
    (1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochromane
    1 2D Structure

    (1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochromane

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
    2.1.2 InChI
    InChI=1S/C18H20FNO2/c19-15-7-9-17-14(10-15)6-8-18(22-17)16(21)12-20-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,18,20-21H,6,8,11-12H2/t16-,18+/m0/s1
    2.1.3 InChI Key
    UWHPUMRASBVSQY-FUHWJXTLSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)F)OC1C(CNCC3=CC=CC=C3)O
    2.1.5 Isomeric SMILES
    C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CNCC3=CC=CC=C3)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 129050-27-7

    2. (1s)-2-(benzylamino)-1-[(2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl]ethanol

    3. (1s)-2-(benzylamino)-1-((2r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)ethanol

    4. Ec 603-316-2

    5. Schembl2289517

    6. Dtxsid30648373

    7. Zinc35787395

    8. J-005645

    9. (s)-2-benzylamino-1-((r)-6-fluoro-3,4-dihydro-2h-chromen-2-yl)-ethanol

    10. (s)-2-benzylamino-1-((r)-6-fluoro-3,4-dihydro-2h-chronnen-2-yl)ethanol

    11. 1s)-1-((2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)-2-[(phenylmethyl)amino]ethanol

    12. 2h-1-benzopyran-2-methanol, 6-fluoro-3,4-dihydro-alpha-[[(phenylmethyl)amino]methyl]-, (alphas,2r)-

    2.3 Create Date
    2008-10-27
    3 Chemical and Physical Properties
    Molecular Weight 301.4 g/mol
    Molecular Formula C18H20FNO2
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass301.14780704 g/mol
    Monoisotopic Mass301.14780704 g/mol
    Topological Polar Surface Area41.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity335
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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