
 CHEMBL6528

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.2885    0.1403   -0.6594 C   0  0  0  0  0
    2.7136    0.1400   -0.3614 N   0  0  0  0  0
    3.1588   -1.1651    0.1522 C   0  0  0  0  0
    4.7036   -1.2988    0.1896 C   0  0  0  0  0
    5.3907   -0.0172    0.6399 C   0  0  0  0  0
    6.7737   -0.0341    0.9064 C   0  0  0  0  0
    7.4513    1.1348    1.2453 C   0  0  0  0  0
    6.7576    2.3355    1.3202 C   0  0  0  0  0
    5.3845    2.3632    1.0728 C   0  0  0  0  0
    4.6753    1.1936    0.7445 C   0  0  0  0  0
    3.1598    1.2575    0.5157 C   0  0  0  0  0
    2.3641    1.3714    1.8744 C   0  0  0  0  0
    2.6119    2.5573    2.7315 N   0  0  0  0  0
    2.1426    3.7975    2.1109 C   0  0  0  0  0
    1.9503    2.3795    4.0280 C   0  0  0  0  0
    5.2525   -1.8146   -1.1422 C   0  0  0  0  0
    5.9572   -3.0280   -1.1921 C   0  0  0  0  0
    6.4697   -3.5040   -2.4012 C   0  0  0  0  0
    6.2837   -2.7759   -3.5747 C   0  0  0  0  0
    5.5904   -1.5690   -3.5403 C   0  0  0  0  0
    5.0821   -1.0897   -2.3326 C   0  0  0  0  0
    1.0767   -0.5606   -1.4753 H   0  0  0  0  0
    0.9592    1.1267   -1.0039 H   0  0  0  0  0
    0.6736   -0.1574    0.1967 H   0  0  0  0  0
    2.7445   -1.9777   -0.4597 H   0  0  0  0  0
    2.7608   -1.3226    1.1630 H   0  0  0  0  0
    4.9193   -2.0539    0.9600 H   0  0  0  0  0
    7.3346   -0.9626    0.8247 H   0  0  0  0  0
    8.5203    1.1088    1.4356 H   0  0  0  0  0
    7.2807    3.2533    1.5737 H   0  0  0  0  0
    4.8671    3.3152    1.1459 H   0  0  0  0  0
    2.9743    2.1671   -0.0697 H   0  0  0  0  0
    2.6025    0.4786    2.4672 H   0  0  0  0  0
    1.2869    1.3332    1.6705 H   0  0  0  0  0
    2.6543    3.9964    1.1646 H   0  0  0  0  0
    2.3673    4.6520    2.7601 H   0  0  0  0  0
    1.0635    3.7848    1.9200 H   0  0  0  0  0
    2.3040    1.4701    4.5243 H   0  0  0  0  0
    0.8612    2.3147    3.9278 H   0  0  0  0  0
    2.1862    3.2130    4.6979 H   0  0  0  0  0
    6.1186   -3.6096   -0.2875 H   0  0  0  0  0
    7.0173   -4.4424   -2.4266 H   0  0  0  0  0
    6.6832   -3.1458   -4.5149 H   0  0  0  0  0
    5.4473   -0.9946   -4.4512 H   0  0  0  0  0
    4.5547   -0.1378   -2.3231 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6528

>  <PubChem CID>
13457440

>  <Formula>
C19H24N2

>  <Molecular Weight>
280.415000

>  <IUPAC Name>
N,N-dimethyl-1-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CC(C2=CC=CC=C2C1CN(C)C)C3=CC=CC=C3

>  <Isomeric SMILES>
CN1CC(C2=CC=CC=C2C1CN(C)C)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H24N2/c1-20(2)14-19-17-12-8-7-11-16(17)18(13-21(19)3)15-9-5-4-6-10-15/h4-12,18-19H,13-14H2,1-3H3

>  <InChI Key>
RJXXPJSDBLRNBL-UHFFFAOYSA-N

