
 CHEMBL343105

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.4282   -0.3507    2.3768 C   0  0  0  0  0
    4.4523    0.2103    1.0222 N   0  0  0  0  0
    3.1848   -0.0895    0.3490 C   0  0  0  0  0
    4.7170    1.6646    1.0854 C   0  0  0  0  0
    4.9550    2.3048   -0.2890 C   0  0  0  0  0
    5.2167    3.7352   -0.1967 N   0  0  0  0  0
    4.2341    4.6930   -0.2442 C   0  0  0  0  0
    4.8449    5.9250   -0.2415 C   0  0  0  0  0
    6.2478    5.7100   -0.1834 C   0  0  0  0  0
    6.4596    4.3319   -0.1333 C   0  0  0  0  0
    7.7526    3.7856   -0.0418 C   0  0  0  0  0
    8.8745    4.6436   -0.0418 C   0  0  0  0  0
    8.6534    6.0258   -0.0927 C   0  0  0  0  0
    7.3607    6.5661   -0.1636 C   0  0  0  0  0
   10.2689    4.0218    0.0783 C   0  0  0  0  0
   10.5551    2.9792   -1.0227 C   0  0  0  0  0
   10.9479    3.6445   -2.3345 C   0  0  0  0  0
   12.1025    4.4605   -2.1456 O   0  0  0  0  0
   11.8529    5.5302   -1.2372 C   0  0  0  0  0
   11.4628    4.9976    0.1392 C   0  0  0  0  0
    5.3897   -0.1923    2.8782 H   0  0  0  0  0
    4.2705   -1.4348    2.3430 H   0  0  0  0  0
    3.6376    0.0931    2.9942 H   0  0  0  0  0
    2.9821   -1.1671    0.3685 H   0  0  0  0  0
    3.2249    0.1862   -0.7093 H   0  0  0  0  0
    2.3374    0.4269    0.8139 H   0  0  0  0  0
    5.6189    1.8318    1.6880 H   0  0  0  0  0
    3.8987    2.1810    1.6038 H   0  0  0  0  0
    4.0813    2.1963   -0.9416 H   0  0  0  0  0
    5.8021    1.8365   -0.8030 H   0  0  0  0  0
    3.1869    4.4236   -0.2912 H   0  0  0  0  0
    4.3396    6.8804   -0.2839 H   0  0  0  0  0
    7.8810    2.7094    0.0364 H   0  0  0  0  0
    9.4759    6.7342   -0.0689 H   0  0  0  0  0
    7.2239    7.6432   -0.2002 H   0  0  0  0  0
   10.2548    3.4931    1.0430 H   0  0  0  0  0
    9.7156    2.2972   -1.1886 H   0  0  0  0  0
   11.3993    2.3616   -0.6866 H   0  0  0  0  0
   11.2039    2.8786   -3.0735 H   0  0  0  0  0
   10.1312    4.2452   -2.7513 H   0  0  0  0  0
   12.7750    6.1148   -1.1555 H   0  0  0  0  0
   11.0899    6.1902   -1.6614 H   0  0  0  0  0
   12.3234    4.4379    0.5323 H   0  0  0  0  0
   11.2871    5.8200    0.8412 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL343105

>  <PubChem CID>
18007586

>  <Formula>
C17H24N2O

>  <Molecular Weight>
272.392000

>  <IUPAC Name>
N,N-dimethyl-2-[6-(oxan-4-yl)indol-1-yl]ethanamine

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCN1C=CC2=C1C=C(C=C2)C3CCOCC3

>  <Isomeric SMILES>
CN(C)CCN1C=CC2=C1C=C(C=C2)C3CCOCC3

>  <InChI Std. ID>
InChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3

>  <InChI Key>
ASNVZSKUEQSUEN-UHFFFAOYSA-N

