
 CHEMBL3701907

 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.0618   -2.3131   -1.2219 C   0  0  0  0  0
   -2.0951   -3.2097   -0.4371 C   0  0  0  0  0
   -0.7783   -2.6451   -0.3509 O   0  0  0  0  0
   -0.7799   -1.3116    0.2110 C   0  0  0  0  0
   -1.7552   -0.4174   -0.6066 C   0  0  0  0  0
   -3.1347   -0.9492   -0.6664 N   0  0  0  0  0
   -0.9624   -1.3370    1.7268 C   0  0  0  0  0
   -0.5111   -2.4410    2.4680 C   0  0  0  0  0
   -0.6451   -2.4879    3.8603 C   0  0  0  0  0
   -1.1933   -1.4165    4.5670 C   0  0  0  0  0
   -1.6188   -0.3019    3.8365 C   0  0  0  0  0
   -1.5002   -0.2572    2.4405 C   0  0  0  0  0
   -1.3812   -1.4358    5.9597 N   0  0  0  0  0
   -1.5218   -2.5051    6.8591 C   0  0  0  0  0
   -1.0229   -2.3725    8.1635 C   0  0  0  0  0
   -1.1019   -3.4311    9.0747 C   0  0  0  0  0
   -1.6808   -4.6350    8.6868 C   0  0  0  0  0
   -2.1798   -4.7890    7.3968 C   0  0  0  0  0
   -2.0927   -3.7294    6.4888 C   0  0  0  0  0
   -1.7791   -5.9386    9.8046 Cl  0  0  0  0  0
   -2.7402   -2.2498   -2.2682 H   0  0  0  0  0
   -4.0628   -2.7565   -1.2180 H   0  0  0  0  0
   -2.0001   -4.1763   -0.9425 H   0  0  0  0  0
   -2.4784   -3.4084    0.5699 H   0  0  0  0  0
    0.2321   -0.9210    0.0428 H   0  0  0  0  0
   -1.7828    0.6072   -0.2237 H   0  0  0  0  0
   -1.3829   -0.3430   -1.6371 H   0  0  0  0  0
   -3.4866   -1.0169    0.2910 H   0  0  0  0  0
   -0.0491   -3.2872    1.9613 H   0  0  0  0  0
   -0.2751   -3.3633    4.3872 H   0  0  0  0  0
   -2.0608    0.5487    4.3501 H   0  0  0  0  0
   -1.8370    0.6442    1.9358 H   0  0  0  0  0
   -1.3296   -0.5221    6.3952 H   0  0  0  0  0
   -0.5509   -1.4448    8.4767 H   0  0  0  0  0
   -0.7029   -3.3087   10.0781 H   0  0  0  0  0
   -2.6386   -5.7245    7.0893 H   0  0  0  0  0
   -2.5058   -3.8602    5.4916 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701907

>  <PubChem CID>
68325743

>  <Formula>
C16H17ClN2O

>  <Molecular Weight>
288.775000

>  <IUPAC Name>
N-(4-chlorophenyl)-4-morpholin-2-ylaniline

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

>  <Isomeric SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H17ClN2O/c17-13-3-7-15(8-4-13)19-14-5-1-12(2-6-14)16-11-18-9-10-20-16/h1-8,16,18-19H,9-11H2

>  <InChI Key>
HJDKBHYQMOIPDU-UHFFFAOYSA-N

