
 CHEMBL3753320

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.1128    1.0404    0.1024 C   0  0  0  0  0
    1.9984    0.2450   -0.8643 C   0  0  0  0  0
    1.1150   -0.6349   -1.7534 C   0  0  0  0  0
    0.6025   -0.0895   -2.9508 C   0  0  0  0  0
   -0.1882   -0.8472   -3.8052 C   0  0  0  0  0
   -0.4981   -2.1543   -3.4646 C   0  0  0  0  0
   -0.0486   -2.7335   -2.2708 C   0  0  0  0  0
   -0.4085   -4.0547   -1.9490 C   0  0  0  0  0
    0.0084   -4.6458   -0.7598 C   0  0  0  0  0
    0.7926   -3.9206    0.1246 C   0  0  0  0  0
    1.1642   -2.6081   -0.1840 C   0  0  0  0  0
    0.7640   -1.9743   -1.3867 C   0  0  0  0  0
   -1.2628   -2.8636   -4.3114 F   0  0  0  0  0
    2.8517    1.1934   -1.6143 N   0  0  0  0  0
    3.9233    0.4966   -2.3278 C   0  0  0  0  0
    4.8143    1.4903   -2.9891 C   0  0  0  0  0
    6.1904    1.5992   -3.0050 C   0  0  0  0  0
    6.5381    2.6806   -3.8599 C   0  0  0  0  0
    7.7598    3.2377   -4.2841 C   0  0  0  0  0
    7.7478    4.3186   -5.1728 C   0  0  0  0  0
    6.5430    4.8478   -5.6308 C   0  0  0  0  0
    5.3170    4.3153   -5.2175 C   0  0  0  0  0
    5.3472    3.2284   -4.3353 C   0  0  0  0  0
    4.3197    2.5005   -3.7808 N   0  0  0  0  0
    1.7217    1.6295    0.7975 H   0  0  0  0  0
    0.4852    0.3725    0.7035 H   0  0  0  0  0
    0.4460    1.7288   -0.4296 H   0  0  0  0  0
    2.6699   -0.3779   -0.2641 H   0  0  0  0  0
    0.8345    0.9379   -3.2255 H   0  0  0  0  0
   -0.5640   -0.4286   -4.7330 H   0  0  0  0  0
   -1.0296   -4.6319   -2.6325 H   0  0  0  0  0
   -0.2843   -5.6657   -0.5257 H   0  0  0  0  0
    1.1163   -4.3713    1.0595 H   0  0  0  0  0
    1.7690   -2.0860    0.5523 H   0  0  0  0  0
    3.2956    1.8240   -0.9459 H   0  0  0  0  0
    3.5203   -0.1684   -3.1000 H   0  0  0  0  0
    4.5152   -0.1133   -1.6347 H   0  0  0  0  0
    6.8801    0.9503   -2.4814 H   0  0  0  0  0
    8.7021    2.8278   -3.9339 H   0  0  0  0  0
    8.6891    4.7456   -5.5099 H   0  0  0  0  0
    6.5551    5.6864   -6.3235 H   0  0  0  0  0
    4.3811    4.7285   -5.5788 H   0  0  0  0  0
    3.3349    2.6729   -3.9299 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
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 22 42  1  0  0  0
 23 24  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753320

>  <PubChem CID>
57385341

>  <Formula>
C21H19FN2

>  <Molecular Weight>
318.395000

>  <IUPAC Name>
1-(4-fluoronaphthalen-1-yl)-N-(1H-indol-2-ylmethyl)ethanamine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=C(C2=CC=CC=C21)F)NCC3=CC4=CC=CC=C4N3

>  <Isomeric SMILES>
CC(C1=CC=C(C2=CC=CC=C21)F)NCC3=CC4=CC=CC=C4N3

>  <InChI Std. ID>
InChI=1S/C21H19FN2/c1-14(17-10-11-20(22)19-8-4-3-7-18(17)19)23-13-16-12-15-6-2-5-9-21(15)24-16/h2-12,14,23-24H,13H2,1H3

>  <InChI Key>
HHTPCVUTXKSNOG-UHFFFAOYSA-N

