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    CAS 521284-22-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 521284-22-0, Benzenemethanol hydrochloride, 3v56q7e5e3, (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride, 2-((4-aminophenethyl)amino)-1-phenylethanol hydrochloride, (r)-, (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol hcl
    Molecular Formula
    C16H21ClN2O
    Molecular Weight
    292.80  g/mol
    InChI Key
    QILVTBCJVNFIDP-NTISSMGPSA-N
    FDA UNII
    3V56Q7E5E3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1
    2.1.3 InChI Key
    QILVTBCJVNFIDP-NTISSMGPSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O.Cl
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)N)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3V56Q7E5E3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 521284-22-0

    2. Benzenemethanol Hydrochloride

    3. 3v56q7e5e3

    4. (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol Hydrochloride

    5. 2-((4-aminophenethyl)amino)-1-phenylethanol Hydrochloride, (r)-

    6. (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol Hcl

    7. (r)-2-[[2-(4-aminophenyl)ethyl]amino]-1-phenylethanol Monohydrochloride

    8. (r)-2-((2-(4-aminophenyl)ethyl)amino)-1-phenylethanol Monohydrochloride

    9. (r)-2-(4-aminophenethylamino)-1-phenylethanol Hydrochloride

    10. Ec 700-425-8

    11. Unii-3v56q7e5e3

    12. Schembl1405554

    13. Chembl3542321

    14. Amy7839

    15. Dtxsid901045084

    16. (1r)-2-((2-(4-aminophenyl)-ethyl)amino)-1-phenylethanol Hcl

    17. Bcp23726

    18. Mfcd28124345

    19. Akos024462508

    20. Ds-7813

    21. Ac-27747

    22. Cs-0010221

    23. A854760

    24. (r)-2-((4-aminophenethyl)amino)-1-phenylethanol Hcl

    25. (alphar)-alpha-(((2-(4-aminophenyl)ethyl)amino)methyl)

    26. (r)-2-((4-aminophenethyl)amino)-1-phenylethanolhydrochloride

    27. (r)-2-(2-(4-aminophenyl)ethylamino)-1-phenylethanol Hydrochloride

    28. (r)-2-[[2-(4-amino-phenyl)ethyl]amino]-1-phenylethanol Monohydrochloride

    29. (r)-2-[[2-(4-aminophenyl) Ethyl]amino]-1-phenylethanol Monohydrochloride

    30. (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol (hydrochloride)

    31. (r)-2-((2-(4-aminophenyl)ethyl)amino)-1-phenylethanol Hydrochloride

    32. (r)-2-(4-aminophenethylamino)-1-phenylethanol Hydrochloride;(r)-2-((4-aminophenethyl)amino)-1-phenylethanol Hydrochloride

    33. Benzenemethanol, .alpha.-(((2-(4-aminophenyl)ethyl)amino)methyl)-, Hydrochloride (1:1), (.alpha.r)-

    34. Benzenemethanol, .alpha.-(((2-(4-aminophenyl)ethyl)amino)methyl)-, Monohydrochloride, (.alpha.r)-

    35. Benzenemethanol, Alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, Hydrochloride (1:1), (alphar)-

    2.4 Create Date
    2011-06-20
    3 Chemical and Physical Properties
    Molecular Weight 292.80 g/mol
    Molecular Formula C16H21ClN2O
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass292.1342410 g/mol
    Monoisotopic Mass292.1342410 g/mol
    Topological Polar Surface Area58.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity233
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2