
 4365 CT

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.3672    2.9666    1.6120 C   0  0  0  0  0
    2.7342    2.6071    1.1533 C   0  0  0  0  0
    3.2336    1.4198    0.6389 C   0  0  0  0  0
    4.6177    1.6399    0.3400 C   0  0  0  0  0
    4.9186    2.9513    0.6971 C   0  0  0  0  0
    3.7652    3.5131    1.1883 N   0  0  0  0  0
    6.1939    3.5049    0.5419 C   0  0  0  0  0
    7.1958    2.6929   -0.0057 C   0  0  0  0  0
    6.9320    1.3767   -0.3820 C   0  0  0  0  0
    5.6470    0.8435   -0.2048 C   0  0  0  0  0
    7.8353    0.5053   -0.9318 O   0  0  0  0  0
    9.1371    1.0117   -1.1988 C   0  0  0  0  0
    2.4660    0.1452    0.4281 C   0  0  0  0  0
    2.5638   -0.7938    1.6444 C   0  0  0  0  0
    1.8098   -2.0552    1.4815 N   0  0  0  0  0
    2.1964   -3.0045    2.5290 C   0  0  0  0  0
    0.3633   -1.8320    1.5342 C   0  0  0  0  0
    1.0555    2.3113    2.4308 H   0  0  0  0  0
    0.6519    2.8586    0.7910 H   0  0  0  0  0
    1.3190    4.0004    1.9675 H   0  0  0  0  0
    3.6920    4.4647    1.5187 H   0  0  0  0  0
    6.4066    4.5290    0.8297 H   0  0  0  0  0
    8.1823    3.1297   -0.1247 H   0  0  0  0  0
    5.4456   -0.1831   -0.4970 H   0  0  0  0  0
    9.7159    0.2134   -1.6723 H   0  0  0  0  0
    9.6484    1.2888   -0.2712 H   0  0  0  0  0
    9.1002    1.8539   -1.8976 H   0  0  0  0  0
    2.8437   -0.3674   -0.4653 H   0  0  0  0  0
    1.4218    0.4008    0.2180 H   0  0  0  0  0
    2.2439   -0.2704    2.5563 H   0  0  0  0  0
    3.6272   -1.0328    1.7856 H   0  0  0  0  0
    3.2673   -3.2307    2.4700 H   0  0  0  0  0
    1.6711   -3.9578    2.3985 H   0  0  0  0  0
    1.9774   -2.6245    3.5339 H   0  0  0  0  0
    0.0235   -1.2162    0.6957 H   0  0  0  0  0
    0.0526   -1.3493    2.4683 H   0  0  0  0  0
   -0.1759   -2.7827    1.4463 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
M  END

>  <Chemical Name>
4365 CT

>  <PubChem CID>
49756

>  <Formula>
C14H20N2O

>  <Molecular Weight>
232.327000

>  <IUPAC Name>
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)OC)CCN(C)C

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)OC)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3

>  <InChI Key>
ACEHBQPPDDGCGZ-UHFFFAOYSA-N

