
 CHEMBL414182

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.5846    1.4549   -0.7766 C   0  0  0  0  0
    1.9723    1.9353   -0.7639 N   0  0  0  0  0
    2.0064    3.3060   -0.2388 C   0  0  0  0  0
    2.7951    1.0257    0.0755 C   0  0  0  0  0
    4.3371    1.2896    0.0274 C   0  0  0  0  0
    5.0615    0.2961    0.9186 C   0  0  0  0  0
    4.9640    0.4310    2.3152 C   0  0  0  0  0
    5.5458   -0.5093    3.1675 C   0  0  0  0  0
    6.2242   -1.5983    2.6364 C   0  0  0  0  0
    6.3489   -1.7359    1.2548 C   0  0  0  0  0
    5.7828   -0.7866    0.3845 C   0  0  0  0  0
    6.0107   -0.9010   -1.1171 C   0  0  0  0  0
    5.0519    0.0116   -1.9251 C   0  0  0  0  0
    4.8557    1.3532   -1.3553 N   0  0  0  0  0
    7.4799   -0.6865   -1.4799 C   0  0  0  0  0
    8.2400   -1.7498   -1.9962 C   0  0  0  0  0
    9.5988   -1.5833   -2.2758 C   0  0  0  0  0
   10.2153   -0.3557   -2.0453 C   0  0  0  0  0
    9.4739    0.7089   -1.5391 C   0  0  0  0  0
    8.1161    0.5444   -1.2593 C   0  0  0  0  0
    0.5301    0.4534   -1.2159 H   0  0  0  0  0
   -0.0427    2.1030   -1.3968 H   0  0  0  0  0
    0.1521    1.4155    0.2291 H   0  0  0  0  0
    1.3278    3.9529   -0.8036 H   0  0  0  0  0
    3.0030    3.7429   -0.3466 H   0  0  0  0  0
    1.7176    3.3506    0.8173 H   0  0  0  0  0
    2.6205   -0.0053   -0.2611 H   0  0  0  0  0
    2.4445    1.0643    1.1154 H   0  0  0  0  0
    4.5297    2.2840    0.4511 H   0  0  0  0  0
    4.4321    1.2752    2.7470 H   0  0  0  0  0
    5.4628   -0.3874    4.2445 H   0  0  0  0  0
    6.6750   -2.3326    3.2970 H   0  0  0  0  0
    6.9105   -2.5760    0.8549 H   0  0  0  0  0
    5.7413   -1.9296   -1.3959 H   0  0  0  0  0
    5.4151    0.1180   -2.9544 H   0  0  0  0  0
    4.0753   -0.4824   -2.0037 H   0  0  0  0  0
    4.1397    1.8359   -1.9074 H   0  0  0  0  0
    7.7831   -2.7200   -2.1709 H   0  0  0  0  0
   10.1779   -2.4159   -2.6661 H   0  0  0  0  0
   11.2735   -0.2292   -2.2546 H   0  0  0  0  0
    9.9509    1.6666   -1.3517 H   0  0  0  0  0
    7.5573    1.3833   -0.8490 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 14  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL414182

>  <PubChem CID>
13457439

>  <Formula>
C18H22N2

>  <Molecular Weight>
266.388000

>  <IUPAC Name>
N,N-dimethyl-1-(4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CC1C2=CC=CC=C2C(CN1)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CC1C2=CC=CC=C2C(CN1)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H22N2/c1-20(2)13-18-16-11-7-6-10-15(16)17(12-19-18)14-8-4-3-5-9-14/h3-11,17-19H,12-13H2,1-2H3

>  <InChI Key>
KEUSBNOLUMCSQJ-UHFFFAOYSA-N

