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    2-(methylamino)-1-(3-methylphenyl)propan-1-one

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 3-mmc, 1246816-62-5, 2-(methylamino)-1-(3-methylphenyl)-1-propanone, 2-(methylamino)-1-(3-methylphenyl)propan-1-one, Unii-73q9qto1n4, 73q9qto1n4
    Molecular Formula
    C11H15NO
    Molecular Weight
    177.24  g/mol
    InChI Key
    QDNXSIYWHYGMCD-UHFFFAOYSA-N
    FDA UNII
    73Q9QTO1N4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(methylamino)-1-(3-methylphenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C11H15NO/c1-8-5-4-6-10(7-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
    2.1.3 InChI Key
    QDNXSIYWHYGMCD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC=C1)C(=O)C(C)NC
    2.2 Other Identifiers
    2.2.1 UNII
    73Q9QTO1N4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-mmc Compound

    2.3.2 Depositor-Supplied Synonyms

    1. 3-mmc

    2. 1246816-62-5

    3. 2-(methylamino)-1-(3-methylphenyl)-1-propanone

    4. 2-(methylamino)-1-(3-methylphenyl)propan-1-one

    5. Unii-73q9qto1n4

    6. 73q9qto1n4

    7. 1-propanone, 2-(methylamino)-1-(3-methylphenyl)-

    8. 3-methylmethcathinone (hydrochloride)

    9. Mepedrone

    10. 3-methylmethcathinone (3-mmc)

    11. Schembl20472228

    12. Qdnxsiywhygmcd-uhfffaoysa-n

    13. Dtxsid401043421

    14. Pd048123

    15. Ft-0701142

    16. 1-(3-methylphenyl)-2-(methylamino)-1-propanone

    17. Q27266198

    18. 1246911-86-3

    2.4 Create Date
    2013-10-25
    3 Chemical and Physical Properties
    Molecular Weight 177.24 g/mol
    Molecular Formula C11H15NO
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area29.1
    Heavy Atom Count13
    Formal Charge0
    Complexity179
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1