
 CHEMBL3588908

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.9241    2.2648   -4.2118 C   0  0  0  0  0
    4.1835    1.3684   -3.1423 O   0  0  0  0  0
    3.8169    1.7659   -1.8790 C   0  0  0  0  0
    3.1607    2.9667   -1.5863 C   0  0  0  0  0
    2.8284    3.2868   -0.2677 C   0  0  0  0  0
    3.1493    2.4112    0.7640 C   0  0  0  0  0
    3.7972    1.2073    0.4840 C   0  0  0  0  0
    4.1288    0.8732   -0.8349 C   0  0  0  0  0
    4.7901   -0.2755   -1.1939 O   0  0  0  0  0
    4.7527   -1.3657   -0.2720 C   0  0  0  0  0
    5.4932   -2.5657   -0.8850 C   0  0  0  0  0
    7.0093   -2.3066   -1.0392 C   0  0  0  0  0
    7.7140   -2.2762    0.2572 N   0  0  0  0  0
    7.4389   -3.5282    0.9751 C   0  0  0  0  0
    5.9326   -3.7851    1.1254 C   0  0  0  0  0
    5.2591   -3.7816   -0.1412 O   0  0  0  0  0
    4.3016    1.8072   -5.1317 H   0  0  0  0  0
    4.4537    3.2134   -4.0723 H   0  0  0  0  0
    2.8483    2.4265   -4.3396 H   0  0  0  0  0
    2.8933    3.6764   -2.3610 H   0  0  0  0  0
    2.3229    4.2237   -0.0479 H   0  0  0  0  0
    2.9008    2.6662    1.7918 H   0  0  0  0  0
    4.0458    0.5618    1.3179 H   0  0  0  0  0
    3.7128   -1.6489   -0.0687 H   0  0  0  0  0
    5.2291   -1.0841    0.6723 H   0  0  0  0  0
    5.0869   -2.7391   -1.8889 H   0  0  0  0  0
    7.1860   -1.3629   -1.5668 H   0  0  0  0  0
    7.4475   -3.1053   -1.6519 H   0  0  0  0  0
    8.7156   -2.1937    0.0875 H   0  0  0  0  0
    7.8995   -4.3610    0.4314 H   0  0  0  0  0
    7.9014   -3.4838    1.9660 H   0  0  0  0  0
    5.7729   -4.7710    1.5753 H   0  0  0  0  0
    5.4657   -3.0500    1.7909 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  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 20  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3588908

>  <PubChem CID>
11333552

>  <Formula>
C12H17NO3

>  <Molecular Weight>
223.272000

>  <IUPAC Name>
2-[(2-methoxyphenoxy)methyl]morpholine

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1OCC2CNCCO2

>  <Isomeric SMILES>
COC1=CC=CC=C1OCC2CNCCO2

>  <InChI Std. ID>
InChI=1S/C12H17NO3/c1-14-11-4-2-3-5-12(11)16-9-10-8-13-6-7-15-10/h2-5,10,13H,6-9H2,1H3

>  <InChI Key>
CHUROPRTMCQLIS-UHFFFAOYSA-N

