
 CHEMBL6649

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.6303    2.1293   -0.4749 C   0  0  0  0  0
    2.0762    2.1752   -0.6517 N   0  0  0  0  0
    2.7434    1.2206    0.2579 C   0  0  0  0  0
    4.2985    1.2941    0.1234 C   0  0  0  0  0
    4.9960    0.2758    1.0103 C   0  0  0  0  0
    4.9247    0.4170    2.4082 C   0  0  0  0  0
    5.5242   -0.5138    3.2553 C   0  0  0  0  0
    6.2070   -1.6012    2.7201 C   0  0  0  0  0
    6.2997   -1.7507    1.3375 C   0  0  0  0  0
    5.7029   -0.8171    0.4724 C   0  0  0  0  0
    5.8536   -0.9766   -1.0334 C   0  0  0  0  0
    4.8203   -0.1119   -1.7987 C   0  0  0  0  0
    4.7091    1.2646   -1.2982 N   0  0  0  0  0
    7.2878   -0.7430   -1.5060 C   0  0  0  0  0
    8.0320   -1.8049   -2.0464 C   0  0  0  0  0
    9.3489   -1.6106   -2.4701 C   0  0  0  0  0
    9.9412   -0.3545   -2.3599 C   0  0  0  0  0
    9.2181    0.7077   -1.8236 C   0  0  0  0  0
    7.9034    0.5139   -1.3972 C   0  0  0  0  0
    0.1585    2.8710   -1.1285 H   0  0  0  0  0
    0.3417    2.3603    0.5565 H   0  0  0  0  0
    0.2308    1.1465   -0.7479 H   0  0  0  0  0
    2.4082    3.1172   -0.4414 H   0  0  0  0  0
    2.4025    0.2034    0.0297 H   0  0  0  0  0
    2.4579    1.4391    1.2940 H   0  0  0  0  0
    4.6084    2.2865    0.4824 H   0  0  0  0  0
    4.4031    1.2642    2.8477 H   0  0  0  0  0
    5.4632   -0.3880    4.3330 H   0  0  0  0  0
    6.6797   -2.3258    3.3771 H   0  0  0  0  0
    6.8555   -2.5932    0.9318 H   0  0  0  0  0
    5.5896   -2.0188   -1.2640 H   0  0  0  0  0
    5.0757   -0.0801   -2.8642 H   0  0  0  0  0
    3.8356   -0.5927   -1.7368 H   0  0  0  0  0
    3.9591    1.7334   -1.8171 H   0  0  0  0  0
    7.5922   -2.7952   -2.1382 H   0  0  0  0  0
    9.9143   -2.4416   -2.8841 H   0  0  0  0  0
   10.9651   -0.2032   -2.6890 H   0  0  0  0  0
    9.6755    1.6892   -1.7324 H   0  0  0  0  0
    7.3600    1.3556   -0.9732 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6649

>  <PubChem CID>
13457435

>  <Formula>
C17H20N2

>  <Molecular Weight>
252.361000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CNCC1C2=CC=CC=C2C(CN1)C3=CC=CC=C3

>  <Isomeric SMILES>
CNCC1C2=CC=CC=C2C(CN1)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H20N2/c1-18-12-17-15-10-6-5-9-14(15)16(11-19-17)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3

>  <InChI Key>
UYHHYORUPUOBTL-UHFFFAOYSA-N

