
 CHEMBL3334797

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.7663    0.1408    0.5777 C   0  0  0  0  0
    2.2170    0.0418    0.3962 N   0  0  0  0  0
    2.5107   -0.7726   -0.7821 C   0  0  0  0  0
    2.8122    1.3916    0.3346 C   0  0  0  0  0
    4.3507    1.3821    0.2373 C   0  0  0  0  0
    5.0077    2.7956    0.2164 C   0  0  0  0  0
    4.6092    3.5487    1.4917 C   0  0  0  0  0
    5.1779    3.2165    2.7355 C   0  0  0  0  0
    4.8041    3.8925    3.9005 C   0  0  0  0  0
    3.8388    4.9022    3.8384 C   0  0  0  0  0
    3.2626    5.2375    2.6090 C   0  0  0  0  0
    3.6487    4.5713    1.4435 C   0  0  0  0  0
    3.3124    5.7714    5.2359 Cl  0  0  0  0  0
    5.5725    3.4352    5.3796 Cl  0  0  0  0  0
    6.4919    2.7255    0.0820 N   0  0  0  0  0
    6.9762    1.9557   -1.0892 C   0  0  0  0  0
    6.7583    2.6722   -2.4310 C   0  0  0  0  0
    7.4143    3.9453   -2.4434 O   0  0  0  0  0
    6.9676    4.7661   -1.3595 C   0  0  0  0  0
    7.1401    4.0620   -0.0006 C   0  0  0  0  0
    0.5253    0.6880    1.4968 H   0  0  0  0  0
    0.3204   -0.8557    0.6842 H   0  0  0  0  0
    0.2794    0.6469   -0.2647 H   0  0  0  0  0
    1.9944   -1.7389   -0.7246 H   0  0  0  0  0
    3.5771   -1.0155   -0.8412 H   0  0  0  0  0
    2.2092   -0.2780   -1.7129 H   0  0  0  0  0
    2.5201    1.9180    1.2506 H   0  0  0  0  0
    2.3971    1.9566   -0.5114 H   0  0  0  0  0
    4.6038    0.8734   -0.6953 H   0  0  0  0  0
    4.7640    0.7849    1.0599 H   0  0  0  0  0
    4.5947    3.3367   -0.6442 H   0  0  0  0  0
    5.9290    2.4294    2.7855 H   0  0  0  0  0
    2.5074    6.0179    2.5551 H   0  0  0  0  0
    3.1825    4.8481    0.4995 H   0  0  0  0  0
    6.5653    0.9427   -1.1214 H   0  0  0  0  0
    8.0576    1.8075   -0.9535 H   0  0  0  0  0
    7.1887    2.0746   -3.2416 H   0  0  0  0  0
    5.6952    2.8105   -2.6538 H   0  0  0  0  0
    7.5701    5.6789   -1.3735 H   0  0  0  0  0
    5.9269    5.0555   -1.5335 H   0  0  0  0  0
    8.2150    3.9057    0.1687 H   0  0  0  0  0
    6.8172    4.7276    0.8050 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 15  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  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
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3334797

>  <PubChem CID>
54767240

>  <Formula>
C15H22Cl2N2O

>  <Molecular Weight>
317.254000

>  <IUPAC Name>
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCC(C1=CC(=C(C=C1)Cl)Cl)N2CCOCC2

>  <Isomeric SMILES>
CN(C)CCC(C1=CC(=C(C=C1)Cl)Cl)N2CCOCC2

>  <InChI Std. ID>
InChI=1S/C15H22Cl2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)12-3-4-13(16)14(17)11-12/h3-4,11,15H,5-10H2,1-2H3

>  <InChI Key>
KEGBICCDHKITSP-UHFFFAOYSA-N

