
 CHEMBL3701930

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.3456   -0.3556   -1.5565 C   0  0  0  0  0
    1.2033    0.5918   -0.3565 C   0  0  0  0  0
   -0.1170    1.1424   -0.2526 O   0  0  0  0  0
   -1.1424    0.1217   -0.1993 C   0  0  0  0  0
   -0.9885   -0.8177   -1.4290 C   0  0  0  0  0
    0.3492   -1.4419   -1.5311 N   0  0  0  0  0
   -1.2110   -0.5365    1.1761 C   0  0  0  0  0
   -1.7000   -1.8347    1.3689 C   0  0  0  0  0
   -1.7838   -2.3968    2.6527 C   0  0  0  0  0
   -1.3696   -1.6917    3.7847 C   0  0  0  0  0
   -0.9483   -0.3714    3.5978 C   0  0  0  0  0
   -0.8670    0.1964    2.3215 C   0  0  0  0  0
   -1.4974   -2.1730    5.0892 N   0  0  0  0  0
   -1.5351   -3.6075    5.3350 C   0  0  0  0  0
   -1.5916   -3.8492    6.8281 C   0  0  0  0  0
   -0.5438   -4.5048    7.4932 C   0  0  0  0  0
   -0.6057   -4.7111    8.8729 C   0  0  0  0  0
   -1.7108   -4.2619    9.5868 C   0  0  0  0  0
   -2.7585   -3.6107    8.9486 C   0  0  0  0  0
   -2.7002   -3.4052    7.5704 C   0  0  0  0  0
   -1.7640   -4.4574   10.9110 F   0  0  0  0  0
    1.2273    0.2086   -2.4888 H   0  0  0  0  0
    2.3509   -0.7900   -1.5672 H   0  0  0  0  0
    1.8965    1.4324   -0.4712 H   0  0  0  0  0
    1.4666    0.0817    0.5759 H   0  0  0  0  0
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   -1.7511   -1.6022   -1.4367 H   0  0  0  0  0
   -1.1522   -0.2303   -2.3422 H   0  0  0  0  0
    0.5034   -1.9917   -0.6835 H   0  0  0  0  0
   -2.0490   -2.4372    0.5347 H   0  0  0  0  0
   -2.1985   -3.3968    2.7388 H   0  0  0  0  0
   -0.6794    0.2414    4.4553 H   0  0  0  0  0
   -0.5332    1.2291    2.2297 H   0  0  0  0  0
   -0.8788   -1.6898    5.7361 H   0  0  0  0  0
   -0.6463   -4.0890    4.9091 H   0  0  0  0  0
   -2.4210   -4.0695    4.8830 H   0  0  0  0  0
    0.3272   -4.8554    6.9436 H   0  0  0  0  0
    0.2004   -5.2159    9.3959 H   0  0  0  0  0
   -3.6096   -3.2637    9.5255 H   0  0  0  0  0
   -3.5152   -2.8851    7.0690 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
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 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701930

>  <PubChem CID>
68325418

>  <Formula>
C17H19FN2O

>  <Molecular Weight>
286.350000

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

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C17H19FN2O/c18-15-5-1-13(2-6-15)11-20-16-7-3-14(4-8-16)17-12-19-9-10-21-17/h1-8,17,19-20H,9-12H2/t17-/m1/s1

>  <InChI Key>
IZAWWZSQZQGVAF-QGZVFWFLSA-N

