
 CHEMBL126735

 55 58  0  0  0  0  0  0  0  0999 V2000
    0.5761    2.7463   -2.2827 C   0  0  0  0  0
    0.0905    2.2538   -1.0070 N   0  0  0  0  0
   -0.4370    3.2646   -0.0876 C   0  0  0  0  0
   -0.8180    2.3650    1.0917 C   0  0  0  0  0
    0.1961    1.2164    1.0412 C   0  0  0  0  0
    1.0575    1.5202   -0.1881 C   0  0  0  0  0
    2.2906    2.3711    0.1683 C   0  0  0  0  0
    1.9733    3.7514    0.7892 C   0  0  0  0  0
    0.6163    4.3206    0.3000 C   0  0  0  0  0
    2.0699    3.8053    2.3345 C   0  0  0  0  0
    3.3856    3.3266    2.9673 C   0  0  0  0  0
    4.5343    4.0951    2.4877 N   0  0  0  0  0
    5.8195    3.5844    3.0165 C   0  0  0  0  0
    7.0136    4.2525    2.3290 C   0  0  0  0  0
    6.9626    5.5768    1.8591 C   0  0  0  0  0
    8.0681    6.1582    1.2346 C   0  0  0  0  0
    9.2454    5.4313    1.0808 C   0  0  0  0  0
    9.3211    4.1236    1.5553 C   0  0  0  0  0
    8.2153    3.5396    2.1768 C   0  0  0  0  0
    5.9152    3.6751    4.5362 C   0  0  0  0  0
    5.7679    4.8996    5.2077 C   0  0  0  0  0
    5.8289    4.9599    6.6010 C   0  0  0  0  0
    6.0368    3.7984    7.3418 C   0  0  0  0  0
    6.1881    2.5760    6.6913 C   0  0  0  0  0
    6.1298    2.5134    5.2978 C   0  0  0  0  0
   -0.2396    3.2276   -2.8328 H   0  0  0  0  0
    0.9215    1.9103   -2.9004 H   0  0  0  0  0
    1.3962    3.4659   -2.2065 H   0  0  0  0  0
   -1.3280    3.7571   -0.4925 H   0  0  0  0  0
   -1.8274    1.9575    0.9487 H   0  0  0  0  0
   -0.8163    2.8883    2.0524 H   0  0  0  0  0
    0.7786    1.1325    1.9634 H   0  0  0  0  0
   -0.3411    0.2692    0.9089 H   0  0  0  0  0
    1.3746    0.5896   -0.6712 H   0  0  0  0  0
    2.9546    1.7835    0.8081 H   0  0  0  0  0
    2.8698    2.5405   -0.7498 H   0  0  0  0  0
    2.7407    4.4476    0.4230 H   0  0  0  0  0
    0.1923    4.9975    1.0522 H   0  0  0  0  0
    0.8099    4.9518   -0.5772 H   0  0  0  0  0
    1.2606    3.2259    2.7866 H   0  0  0  0  0
    1.9017    4.8437    2.6522 H   0  0  0  0  0
    3.5251    2.2563    2.7842 H   0  0  0  0  0
    3.2793    3.4494    4.0515 H   0  0  0  0  0
    4.5873    4.0220    1.4736 H   0  0  0  0  0
    5.8666    2.5248    2.7260 H   0  0  0  0  0
    6.0560    6.1664    1.9800 H   0  0  0  0  0
    8.0093    7.1820    0.8731 H   0  0  0  0  0
   10.1064    5.8857    0.5978 H   0  0  0  0  0
   10.2432    3.5594    1.4462 H   0  0  0  0  0
    8.2985    2.5208    2.5495 H   0  0  0  0  0
    5.5910    5.8112    4.6412 H   0  0  0  0  0
    5.7085    5.9143    7.1065 H   0  0  0  0  0
    6.0788    3.8464    8.4265 H   0  0  0  0  0
    6.3479    1.6695    7.2695 H   0  0  0  0  0
    6.2442    1.5487    4.8093 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 37  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
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 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL126735

>  <PubChem CID>
401890

>  <Formula>
C23H30N2

>  <Molecular Weight>
334.507000

>  <IUPAC Name>
N-benzhydryl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2CCC1CC(C2)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1C2CCC1CC(C2)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H30N2/c1-25-21-12-13-22(25)17-18(16-21)14-15-24-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-24H,12-17H2,1H3

>  <InChI Key>
ALPHRFUELPDGHE-UHFFFAOYSA-N

