
 CHEMBL3701943

 43 46  0  0  0  0  0  0  0  0999 V2000
   -3.4964   -0.8274   -1.2302 C   0  0  0  0  0
   -2.9477   -2.1095   -0.5894 C   0  0  0  0  0
   -1.5135   -2.1242   -0.5747 O   0  0  0  0  0
   -0.9623   -0.9762    0.1104 C   0  0  0  0  0
   -1.5336    0.3294   -0.5107 C   0  0  0  0  0
   -3.0121    0.3876   -0.5496 N   0  0  0  0  0
   -1.0634   -1.1610    1.6197 C   0  0  0  0  0
   -0.6455   -2.3807    2.1769 C   0  0  0  0  0
   -0.7083   -2.6072    3.5558 C   0  0  0  0  0
   -1.1832   -1.6219    4.4276 C   0  0  0  0  0
   -1.5871   -0.4035    3.8770 C   0  0  0  0  0
   -1.5181   -0.1685    2.4963 C   0  0  0  0  0
   -1.2741   -1.9091    5.7995 N   0  0  0  0  0
   -2.1808   -1.4954    6.7929 C   0  0  0  0  0
   -1.7963   -1.5997    8.1391 C   0  0  0  0  0
   -2.6384   -1.1847    9.1868 C   0  0  0  0  0
   -2.2525   -1.3043   10.5322 C   0  0  0  0  0
   -3.1035   -0.8931   11.5590 C   0  0  0  0  0
   -4.3503   -0.3547   11.2548 C   0  0  0  0  0
   -4.7473   -0.2255    9.9229 C   0  0  0  0  0
   -3.9017   -0.6358    8.8790 C   0  0  0  0  0
   -4.2816   -0.5157    7.5355 C   0  0  0  0  0
   -3.4283   -0.9361    6.5089 C   0  0  0  0  0
   -3.1972   -0.7824   -2.2842 H   0  0  0  0  0
   -4.5910   -0.8388   -1.2038 H   0  0  0  0  0
   -3.2769   -2.9780   -1.1690 H   0  0  0  0  0
   -3.3295   -2.2359    0.4302 H   0  0  0  0  0
    0.1121   -0.9830   -0.1166 H   0  0  0  0  0
   -1.1491    1.2137    0.0085 H   0  0  0  0  0
   -1.1771    0.4052   -1.5466 H   0  0  0  0  0
   -3.3583    0.3644    0.4103 H   0  0  0  0  0
   -0.2763   -3.1741    1.5282 H   0  0  0  0  0
   -0.3939   -3.5744    3.9396 H   0  0  0  0  0
   -1.9293    0.3998    4.5249 H   0  0  0  0  0
   -1.8250    0.8102    2.1380 H   0  0  0  0  0
   -0.6573   -2.6542    6.1034 H   0  0  0  0  0
   -0.8169   -2.0083    8.3788 H   0  0  0  0  0
   -1.2821   -1.7230   10.7904 H   0  0  0  0  0
   -2.7923   -0.9941   12.5955 H   0  0  0  0  0
   -5.0146   -0.0347   12.0531 H   0  0  0  0  0
   -5.7249    0.1981    9.7041 H   0  0  0  0  0
   -5.2514   -0.0993    7.2729 H   0  0  0  0  0
   -3.7756   -0.8535    5.4833 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 23  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701943

>  <PubChem CID>
68325402

>  <Formula>
C20H20N2O

>  <Molecular Weight>
304.393000

>  <IUPAC Name>
N-[4-[(2S)-morpholin-2-yl]phenyl]naphthalen-2-amine

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C20H20N2O/c1-2-4-17-13-19(10-5-15(17)3-1)22-18-8-6-16(7-9-18)20-14-21-11-12-23-20/h1-10,13,20-22H,11-12,14H2/t20-/m1/s1

>  <InChI Key>
AZSUIFSWQMBTBW-HXUWFJFHSA-N

