
 CHEMBL3701919

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.2912   -0.7294    2.6731 C   0  0  0  0  0
    3.5272    0.0595    1.7670 O   0  0  0  0  0
    4.0739    1.2619    1.4075 C   0  0  0  0  0
    3.5410    1.8237    0.2458 C   0  0  0  0  0
    3.9972    3.0574   -0.2225 C   0  0  0  0  0
    4.9813    3.7605    0.4822 C   0  0  0  0  0
    5.5204    3.1882    1.6436 C   0  0  0  0  0
    5.0645    1.9495    2.1085 C   0  0  0  0  0
    5.4427    5.1170    0.0095 C   0  0  0  0  0
    6.6839    4.9941   -0.7405 N   0  0  0  0  0
    7.2139    6.1286   -1.3670 C   0  0  0  0  0
    6.8502    7.4368   -1.0354 C   0  0  0  0  0
    7.4711    8.5374   -1.6330 C   0  0  0  0  0
    8.5102    8.3731   -2.5604 C   0  0  0  0  0
    8.9002    7.0666   -2.8730 C   0  0  0  0  0
    8.2688    5.9665   -2.2755 C   0  0  0  0  0
    9.1529    9.6161   -3.1548 C   0  0  0  0  0
   10.4364    9.4474   -4.0133 C   0  0  0  0  0
   10.1953    8.9074   -5.3656 N   0  0  0  0  0
    9.1453    9.7056   -6.0174 C   0  0  0  0  0
    7.8811    9.8230   -5.1550 C   0  0  0  0  0
    8.1697   10.3952   -3.8719 O   0  0  0  0  0
    3.7947   -1.6986    2.7668 H   0  0  0  0  0
    4.3218   -0.2751    3.6670 H   0  0  0  0  0
    5.2996   -0.9051    2.2867 H   0  0  0  0  0
    2.7654    1.2926   -0.3005 H   0  0  0  0  0
    3.5693    3.4700   -1.1324 H   0  0  0  0  0
    6.2946    3.7150    2.1987 H   0  0  0  0  0
    5.4894    1.5602    3.0263 H   0  0  0  0  0
    5.5863    5.7580    0.8891 H   0  0  0  0  0
    4.6585    5.5728   -0.6062 H   0  0  0  0  0
    6.7081    4.1730   -1.3411 H   0  0  0  0  0
    6.0703    7.6373   -0.3078 H   0  0  0  0  0
    7.1394    9.5406   -1.3656 H   0  0  0  0  0
    9.6980    6.8746   -3.5851 H   0  0  0  0  0
    8.6174    4.9677   -2.5282 H   0  0  0  0  0
    9.4484   10.2351   -2.2965 H   0  0  0  0  0
   11.1658    8.8159   -3.4945 H   0  0  0  0  0
   10.9001   10.4365   -4.1317 H   0  0  0  0  0
   11.0538    8.9690   -5.9112 H   0  0  0  0  0
    9.5395   10.7080   -6.2224 H   0  0  0  0  0
    8.8916    9.2459   -6.9784 H   0  0  0  0  0
    7.1624   10.4846   -5.6501 H   0  0  0  0  0
    7.3912    8.8502   -5.0287 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
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701919

>  <PubChem CID>
68325799

>  <Formula>
C18H22N2O2

>  <Molecular Weight>
298.386000

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

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)CNC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CNC2=CC=C(C=C2)[C@H]3CNCCO3

>  <InChI Std. ID>
InChI=1S/C18H22N2O2/c1-21-17-8-2-14(3-9-17)12-20-16-6-4-15(5-7-16)18-13-19-10-11-22-18/h2-9,18-20H,10-13H2,1H3/t18-/m1/s1

>  <InChI Key>
BLNVIMYBVSDGSQ-GOSISDBHSA-N

