
 CHEMBL2205710

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.9641   -0.4093    0.1911 C   0  0  0  0  0
    2.4795   -0.1703    0.1643 C   0  0  0  0  0
    3.3642   -1.1926   -0.6771 C   0  0  0  0  0
    2.7745   -1.6226   -2.0377 C   0  0  0  0  0
    2.2709   -0.3985   -2.7753 C   0  0  0  0  0
    2.3826    0.8344   -2.2312 C   0  0  0  0  0
    3.0558    0.8865   -0.8793 C   0  0  0  0  0
    4.3547   -0.0008   -0.8879 C   0  0  0  0  0
    1.8717    2.1065   -2.8468 C   0  0  0  0  0
    2.9281    3.1056   -3.0850 N   0  0  0  0  0
    3.8519    2.6382   -4.1272 C   0  0  0  0  0
    2.3131    4.3929   -3.4621 C   0  0  0  0  0
    3.2730    5.5649   -3.3762 C   0  0  0  0  0
    3.9896    5.9909   -4.5079 C   0  0  0  0  0
    4.8970    7.0462   -4.4138 C   0  0  0  0  0
    5.0771    7.6894   -3.1956 C   0  0  0  0  0
    4.3700    7.2938   -2.0665 C   0  0  0  0  0
    3.4745    6.2277   -2.1537 C   0  0  0  0  0
    5.9489    8.7035   -3.1084 F   0  0  0  0  0
    2.9352    0.0599    1.6192 C   0  0  0  0  0
    0.5284   -0.6037   -0.7907 H   0  0  0  0  0
    0.4455    0.4628    0.6042 H   0  0  0  0  0
    0.7234   -1.2740    0.8201 H   0  0  0  0  0
    3.7683   -2.0388   -0.1128 H   0  0  0  0  0
    3.5413   -2.1223   -2.6395 H   0  0  0  0  0
    1.9516   -2.3292   -1.8872 H   0  0  0  0  0
    1.8000   -0.5450   -3.7418 H   0  0  0  0  0
    3.1913    1.9025   -0.4963 H   0  0  0  0  0
    5.0596    0.1815   -0.0714 H   0  0  0  0  0
    4.9442   -0.0118   -1.8123 H   0  0  0  0  0
    1.1358    2.5135   -2.1407 H   0  0  0  0  0
    1.3248    1.8948   -3.7749 H   0  0  0  0  0
    4.3090    1.6805   -3.8603 H   0  0  0  0  0
    4.6905    3.3284   -4.2518 H   0  0  0  0  0
    3.3523    2.5198   -5.0947 H   0  0  0  0  0
    1.4828    4.6229   -2.7811 H   0  0  0  0  0
    1.8650    4.3463   -4.4627 H   0  0  0  0  0
    3.8568    5.4868   -5.4614 H   0  0  0  0  0
    5.4685    7.3659   -5.2805 H   0  0  0  0  0
    4.5263    7.8119   -1.1274 H   0  0  0  0  0
    2.9360    5.9081   -1.2649 H   0  0  0  0  0
    4.0097    0.2284    1.7210 H   0  0  0  0  0
    2.6857   -0.8069    2.2410 H   0  0  0  0  0
    2.4315    0.9361    2.0416 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  7  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
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 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
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 20 42  1  0  0  0
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 20 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2205710

>  <PubChem CID>
71461332

>  <Formula>
C18H24FN

>  <Molecular Weight>
273.395000

>  <IUPAC Name>
1-[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]-N-[(4-fluorophenyl)methyl]-N-methylmethanamine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(C2CC=C(C1C2)CN(C)CC3=CC=C(C=C3)F)C

>  <Isomeric SMILES>
CC1([C@H]2CC=C([C@@H]1C2)CN(C)CC3=CC=C(C=C3)F)C

>  <InChI Std. ID>
InChI=1S/C18H24FN/c1-18(2)15-7-6-14(17(18)10-15)12-20(3)11-13-4-8-16(19)9-5-13/h4-6,8-9,15,17H,7,10-12H2,1-3H3/t15-,17-/m0/s1

>  <InChI Key>
APCTUEIYSPKDSY-RDJZCZTQSA-N

