
 CHEMBL3701935

 46 48  0  0  0  0  0  0  0  0999 V2000
    7.0805   -0.8102    2.0905 C   0  0  0  0  0
    6.2161    0.3999    2.4097 C   0  0  0  0  0
    6.3356    1.4672    1.3521 C   0  0  0  0  0
    7.3391    2.4391    1.4372 C   0  0  0  0  0
    7.4600    3.4198    0.4515 C   0  0  0  0  0
    6.5872    3.4400   -0.6462 C   0  0  0  0  0
    5.5788    2.4722   -0.7272 C   0  0  0  0  0
    5.4591    1.4892    0.2595 C   0  0  0  0  0
    6.6984    4.5343   -1.6829 C   0  0  0  0  0
    5.8464    5.6491   -1.2866 N   0  0  0  0  0
    6.1793    6.9345   -1.7271 C   0  0  0  0  0
    5.7650    8.0325   -0.9650 C   0  0  0  0  0
    6.0381    9.3464   -1.3638 C   0  0  0  0  0
    6.7070    9.6056   -2.5637 C   0  0  0  0  0
    7.0767    8.5073   -3.3556 C   0  0  0  0  0
    6.8019    7.1942   -2.9503 C   0  0  0  0  0
    7.0385   11.0093   -3.0488 C   0  0  0  0  0
    6.4629   12.2168   -2.2549 C   0  0  0  0  0
    7.1373   12.4711   -0.9653 N   0  0  0  0  0
    8.5870   12.5563   -1.1960 C   0  0  0  0  0
    9.1293   11.3385   -1.9574 C   0  0  0  0  0
    8.4652   11.1609   -3.2173 O   0  0  0  0  0
    6.9748   -1.5677    2.8735 H   0  0  0  0  0
    8.1390   -0.5364    2.0242 H   0  0  0  0  0
    6.7908   -1.2643    1.1370 H   0  0  0  0  0
    6.5032    0.8140    3.3840 H   0  0  0  0  0
    5.1682    0.0918    2.5085 H   0  0  0  0  0
    8.0316    2.4411    2.2766 H   0  0  0  0  0
    8.2375    4.1752    0.5460 H   0  0  0  0  0
    4.8743    2.4851   -1.5562 H   0  0  0  0  0
    4.6719    0.7441    0.1729 H   0  0  0  0  0
    6.3927    4.1532   -2.6646 H   0  0  0  0  0
    7.7519    4.8330   -1.7610 H   0  0  0  0  0
    5.6413    5.6339   -0.2900 H   0  0  0  0  0
    5.2327    7.8763   -0.0297 H   0  0  0  0  0
    5.7231   10.1535   -0.7077 H   0  0  0  0  0
    7.5883    8.6722   -4.3024 H   0  0  0  0  0
    7.0857    6.3830   -3.6137 H   0  0  0  0  0
    6.6121   11.0835   -4.0582 H   0  0  0  0  0
    5.3886   12.0872   -2.0824 H   0  0  0  0  0
    6.5786   13.1187   -2.8707 H   0  0  0  0  0
    6.8035   13.3529   -0.5779 H   0  0  0  0  0
    8.8012   13.4674   -1.7674 H   0  0  0  0  0
    9.0983   12.6422   -0.2319 H   0  0  0  0  0
   10.1930   11.4877   -2.1712 H   0  0  0  0  0
    9.0451   10.4237   -1.3595 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  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  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701935

>  <PubChem CID>
68325659

>  <Formula>
C19H24N2O

>  <Molecular Weight>
296.414000

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

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC=C(C=C1)CNC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
CCC1=CC=C(C=C1)CNC2=CC=C(C=C2)[C@H]3CNCCO3

>  <InChI Std. ID>
InChI=1S/C19H24N2O/c1-2-15-3-5-16(6-4-15)13-21-18-9-7-17(8-10-18)19-14-20-11-12-22-19/h3-10,19-21H,2,11-14H2,1H3/t19-/m1/s1

>  <InChI Key>
LYUXEIWGFLVELT-LJQANCHMSA-N

