
 CHEMBL129931

 43 44  0  0  0  0  0  0  0  0999 V2000
   -1.2389   -1.4423    1.4320 C   0  0  0  0  0
   -0.4957   -0.3409    1.8525 C   0  0  0  0  0
    0.8972   -0.3618    1.7644 C   0  0  0  0  0
    1.5583   -1.4886    1.2579 C   0  0  0  0  0
    0.8012   -2.5886    0.8331 C   0  0  0  0  0
   -0.5912   -2.5657    0.9220 C   0  0  0  0  0
    3.0627   -1.5075    1.1377 C   0  0  0  0  0
    3.5191   -0.9732   -0.2232 C   0  0  0  0  0
    5.0419   -0.9571   -0.3728 C   0  0  0  0  0
    5.5901   -2.3120   -0.3287 N   0  0  0  0  0
    7.0463   -2.3001   -0.4537 C   0  0  0  0  0
    7.5887   -3.7263   -0.3972 C   0  0  0  0  0
    9.1143   -3.7249   -0.4282 C   0  0  0  0  0
    9.5646   -5.0798   -0.4496 O   0  0  0  0  0
   10.9170   -5.2703   -0.5332 C   0  0  0  0  0
   11.8956   -4.3052   -0.2883 C   0  0  0  0  0
   13.2500   -4.6335   -0.3982 C   0  0  0  0  0
   13.6320   -5.9266   -0.7519 C   0  0  0  0  0
   12.6601   -6.8950   -0.9906 C   0  0  0  0  0
   11.3080   -6.5676   -0.8755 C   0  0  0  0  0
   -2.3230   -1.4253    1.5009 H   0  0  0  0  0
   -1.0007    0.5357    2.2488 H   0  0  0  0  0
    1.4646    0.5057    2.0928 H   0  0  0  0  0
    1.2955   -3.4702    0.4298 H   0  0  0  0  0
   -1.1693   -3.4248    0.5924 H   0  0  0  0  0
    3.4192   -2.5326    1.2949 H   0  0  0  0  0
    3.5009   -0.9077    1.9453 H   0  0  0  0  0
    3.1482    0.0518   -0.3566 H   0  0  0  0  0
    3.0740   -1.5677   -1.0321 H   0  0  0  0  0
    5.4752   -0.3456    0.4278 H   0  0  0  0  0
    5.2946   -0.4830   -1.3288 H   0  0  0  0  0
    5.1829   -2.8730   -1.0772 H   0  0  0  0  0
    7.4840   -1.7114    0.3620 H   0  0  0  0  0
    7.3413   -1.8347   -1.4029 H   0  0  0  0  0
    7.2025   -4.3203   -1.2342 H   0  0  0  0  0
    7.2503   -4.2325    0.5152 H   0  0  0  0  0
    9.4851   -3.2156    0.4695 H   0  0  0  0  0
    9.4671   -3.2034   -1.3272 H   0  0  0  0  0
   11.6407   -3.2920    0.0011 H   0  0  0  0  0
   14.0075   -3.8794   -0.2012 H   0  0  0  0  0
   14.6858   -6.1791   -0.8369 H   0  0  0  0  0
   12.9521   -7.9053   -1.2646 H   0  0  0  0  0
   10.5520   -7.3267   -1.0596 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 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  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL129931

>  <PubChem CID>
9948461

>  <Formula>
C18H23NO

>  <Molecular Weight>
269.388000

>  <IUPAC Name>
N-(3-phenoxypropyl)-3-phenylpropan-1-amine

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCNCCCOC2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCNCCCOC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C18H23NO/c1-3-9-17(10-4-1)11-7-14-19-15-8-16-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2

>  <InChI Key>
AHYUXDAZVIOABZ-UHFFFAOYSA-N

