
 CHEMBL3701934

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.2929   -0.2964   -1.3955 C   0  0  0  0  0
    0.7350    0.7791   -0.4542 C   0  0  0  0  0
   -0.6977    0.7399   -0.3689 O   0  0  0  0  0
   -1.1960   -0.5628    0.0180 C   0  0  0  0  0
   -0.6329   -1.6318   -0.9615 C   0  0  0  0  0
    0.8448   -1.6512   -1.0265 N   0  0  0  0  0
   -1.0047   -0.8190    1.5110 C   0  0  0  0  0
   -0.9098   -2.1070    2.0507 C   0  0  0  0  0
   -0.7588   -2.3005    3.4319 C   0  0  0  0  0
   -0.6817   -1.2226    4.3228 C   0  0  0  0  0
   -0.8542    0.0569    3.7906 C   0  0  0  0  0
   -1.0096    0.2566    2.4129 C   0  0  0  0  0
   -0.5854   -1.4923    5.6931 N   0  0  0  0  0
   -0.1781   -0.4187    6.5948 C   0  0  0  0  0
   -0.0305   -0.9485    7.9996 C   0  0  0  0  0
    1.1622   -0.7579    8.7053 C   0  0  0  0  0
    1.3126   -1.2051   10.0142 C   0  0  0  0  0
    0.2503   -1.8504   10.6375 C   0  0  0  0  0
   -0.9534   -2.0498    9.9607 C   0  0  0  0  0
   -1.0937   -1.5977    8.6452 C   0  0  0  0  0
    0.4190   -2.4022   12.2580 Cl  0  0  0  0  0
    2.1909   -0.1275    8.1228 F   0  0  0  0  0
    0.9732   -0.0882   -2.4239 H   0  0  0  0  0
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    1.0095    1.7715   -0.8279 H   0  0  0  0  0
    1.1673    0.6819    0.5483 H   0  0  0  0  0
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   -1.0079   -1.4152   -1.9704 H   0  0  0  0  0
    1.1968   -1.8557   -0.0892 H   0  0  0  0  0
   -0.9660   -2.9909    1.4223 H   0  0  0  0  0
   -0.7076   -3.3196    3.8100 H   0  0  0  0  0
   -0.8734    0.9346    4.4280 H   0  0  0  0  0
   -1.1362    1.2742    2.0452 H   0  0  0  0  0
   -0.0706   -2.3542    5.8628 H   0  0  0  0  0
   -0.9340    0.3764    6.6202 H   0  0  0  0  0
    0.7659    0.0199    6.2499 H   0  0  0  0  0
    2.2524   -1.0403   10.5307 H   0  0  0  0  0
   -1.7845   -2.5509   10.4497 H   0  0  0  0  0
   -2.0365   -1.7511    8.1210 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 30  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
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M  END

>  <Chemical Name>
CHEMBL3701934

>  <PubChem CID>
68325395

>  <Formula>
C17H18ClFN2O

>  <Molecular Weight>
320.792000

>  <IUPAC Name>
N-[(4-chloro-2-fluorophenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NCC3=C(C=C(C=C3)Cl)F

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NCC3=C(C=C(C=C3)Cl)F

>  <InChI Std. ID>
InChI=1S/C17H18ClFN2O/c18-14-4-1-13(16(19)9-14)10-21-15-5-2-12(3-6-15)17-11-20-7-8-22-17/h1-6,9,17,20-21H,7-8,10-11H2/t17-/m1/s1

>  <InChI Key>
JEKYPWQCOHEEPX-QGZVFWFLSA-N

