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    Benzenepropanamine G-Ethyl-3-Methoxy-N-N-B-Trimethyl-Hydrochloride

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 175591-17-0, (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine hydrochloride, (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentanamine hydrochloride, Bph1eom45f, 3(3-methoxyphenyl)-n,n,2-trimethyl pentane-1-amine hydrochloride, (2r,3r)-, (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine;hydrochloride
    Molecular Formula
    C15H26ClNO
    Molecular Weight
    271.82  g/mol
    InChI Key
    XKSJVTDZSYZBGF-SBKWZQTDSA-N
    FDA UNII
    BPH1EOM45F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H25NO.ClH/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5;/h7-10,12,15H,6,11H2,1-5H3;1H/t12-,15+;/m0./s1
    2.1.3 InChI Key
    XKSJVTDZSYZBGF-SBKWZQTDSA-N
    2.1.4 Canonical SMILES
    CCC(C1=CC(=CC=C1)OC)C(C)CN(C)C.Cl
    2.1.5 Isomeric SMILES
    CC[C@@H](C1=CC(=CC=C1)OC)[C@@H](C)CN(C)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    BPH1EOM45F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 175591-17-0

    2. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine Hydrochloride

    3. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentanamine Hydrochloride

    4. Bph1eom45f

    5. 3(3-methoxyphenyl)-n,n,2-trimethyl Pentane-1-amine Hydrochloride, (2r,3r)-

    6. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine;hydrochloride

    7. (betar,gammar)-gamma-ethyl-3-methoxy-n,n,beta-trimethylbenzenepropanamine Hydrochloride

    8. Unii-bph1eom45f

    9. Schembl733827

    10. Dtxsid10170001

    11. Cs-m1896

    12. Mfcd16039222

    13. (2r, 3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine Hydrochloride

    14. Akos015901595

    15. Benzenepropanamine, Gamma-ethyl-3-methoxy-n,n,beta-trimethyl-, Hydrochloride (1:1), (betar,gammar)-

    16. Q27274794

    17. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethyl-pentanamine Hcl

    18. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentanamine Hcl

    19. (2r,3r)-3-(3-methoxyphenyl)-n,n,2-trimethylpentan-1-amine Hcl

    20. (2r,3r)-[3-(3-methoxy Phenyl)-2-methyl Pentyl]dimethylamine Hydrochloride

    21. Benzenepropanamine, .gamma.-ethyl-3-methoxy-n,n,.beta.-trimethyl-, Hydrochloride (1:1), (.beta.r,.gamma.r)-

    2.4 Create Date
    2008-05-19
    3 Chemical and Physical Properties
    Molecular Weight 271.82 g/mol
    Molecular Formula C15H26ClNO
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass271.1702921 g/mol
    Monoisotopic Mass271.1702921 g/mol
    Topological Polar Surface Area12.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity205
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2