
 CHEMBL3701936

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.4390    0.0782   -1.3480 C   0  0  0  0  0
    0.8960    0.9558   -0.2121 C   0  0  0  0  0
   -0.5383    0.9533   -0.1813 O   0  0  0  0  0
   -1.0776   -0.3825   -0.0424 C   0  0  0  0  0
   -0.5136   -1.2911   -1.1710 C   0  0  0  0  0
    0.9641   -1.3149   -1.2553 N   0  0  0  0  0
   -0.9356   -0.8520    1.3995 C   0  0  0  0  0
   -0.4143   -2.0973    1.7655 C   0  0  0  0  0
   -0.2546   -2.4426    3.1150 C   0  0  0  0  0
   -0.6009   -1.5550    4.1378 C   0  0  0  0  0
   -1.2184   -0.3553    3.7722 C   0  0  0  0  0
   -1.3681   -0.0002    2.4281 C   0  0  0  0  0
   -0.4736   -1.8653    5.5016 N   0  0  0  0  0
    0.7109   -2.6395    5.8907 C   0  0  0  0  0
    0.8274   -2.6898    7.4042 C   0  0  0  0  0
    1.8613   -2.0192    7.9806 N   0  0  0  0  0
    1.9430   -2.0573    9.3329 C   0  0  0  0  0
    1.0384   -2.7268   10.1368 C   0  0  0  0  0
   -0.0164   -3.3997    9.5422 C   0  0  0  0  0
   -0.1281   -3.3822    8.1539 C   0  0  0  0  0
    1.1741   -2.7235   11.4682 F   0  0  0  0  0
    1.1288    0.4909   -2.3156 H   0  0  0  0  0
    2.5342    0.0830   -1.3287 H   0  0  0  0  0
    1.2177    1.9909   -0.3627 H   0  0  0  0  0
    1.2892    0.6327    0.7587 H   0  0  0  0  0
   -2.1567   -0.2900   -0.2242 H   0  0  0  0  0
   -0.8876   -2.3156   -1.0728 H   0  0  0  0  0
   -0.8883   -0.9194   -2.1338 H   0  0  0  0  0
    1.3288   -1.7079   -0.3872 H   0  0  0  0  0
   -0.1171   -2.8301    1.0204 H   0  0  0  0  0
    0.1446   -3.4261    3.3436 H   0  0  0  0  0
   -1.5691    0.3366    4.5341 H   0  0  0  0  0
   -1.8145    0.9624    2.1832 H   0  0  0  0  0
   -0.5303   -1.0158    6.0629 H   0  0  0  0  0
    1.6185   -2.1769    5.4821 H   0  0  0  0  0
    0.6532   -3.6691    5.5194 H   0  0  0  0  0
    2.7777   -1.5197    9.7705 H   0  0  0  0  0
   -0.7417   -3.9240   10.1546 H   0  0  0  0  0
   -0.9530   -3.8879    7.6597 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
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
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 19 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701936

>  <PubChem CID>
68325601

>  <Formula>
C16H18FN3O

>  <Molecular Weight>
287.338000

>  <IUPAC Name>
N-[(5-fluoropyridin-2-yl)methyl]-4-[(2S)-morpholin-2-yl]aniline

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C16H18FN3O/c17-13-3-6-15(19-9-13)10-20-14-4-1-12(2-5-14)16-11-18-7-8-21-16/h1-6,9,16,18,20H,7-8,10-11H2/t16-/m1/s1

>  <InChI Key>
JJBBQXYNZOTPMZ-MRXNPFEDSA-N

