
 CHEMBL34653

 40 41  0  0  0  0  0  0  0  0999 V2000
    4.0054    2.9470    1.5263 C   0  0  0  0  0
    4.1246    3.9651    0.4026 C   0  0  0  0  0
    4.0556    3.3322   -0.9952 C   0  0  0  0  0
    5.1772    2.4212   -1.3186 N   0  0  0  0  0
    4.9480    1.7413   -2.6112 C   0  0  0  0  0
    3.7888    0.7337   -2.5779 C   0  0  0  0  0
    3.6974   -0.0485   -3.8807 C   0  0  0  0  0
    6.4705    3.1590   -1.3266 C   0  0  0  0  0
    7.3993    2.9673   -0.1608 C   0  0  0  0  0
    7.8069    2.4559   -1.5170 C   0  0  0  0  0
    8.9001    3.1599   -2.2928 C   0  0  0  0  0
    8.6941    3.5872   -3.6162 C   0  0  0  0  0
    9.6988    4.2554   -4.3166 C   0  0  0  0  0
   10.9304    4.5054   -3.7277 C   0  0  0  0  0
   11.1653    4.0765   -2.4263 C   0  0  0  0  0
   10.1603    3.4066   -1.7196 C   0  0  0  0  0
    9.5073    4.6878   -5.5950 O   0  0  0  0  0
    3.9958    3.4584    2.4949 H   0  0  0  0  0
    4.8426    2.2446    1.5248 H   0  0  0  0  0
    3.0765    2.3760    1.4381 H   0  0  0  0  0
    5.0444    4.5486    0.5259 H   0  0  0  0  0
    3.2970    4.6797    0.4946 H   0  0  0  0  0
    4.0013    4.1352   -1.7421 H   0  0  0  0  0
    3.1027    2.7962   -1.0429 H   0  0  0  0  0
    5.8476    1.1768   -2.8829 H   0  0  0  0  0
    4.7883    2.4757   -3.4099 H   0  0  0  0  0
    2.8307    1.2410   -2.4242 H   0  0  0  0  0
    3.9256    0.0313   -1.7463 H   0  0  0  0  0
    3.5426    0.6237   -4.7302 H   0  0  0  0  0
    2.8559   -0.7480   -3.8432 H   0  0  0  0  0
    4.6101   -0.6251   -4.0579 H   0  0  0  0  0
    6.4103    4.1676   -1.7353 H   0  0  0  0  0
    7.1441    2.2262    0.5898 H   0  0  0  0  0
    7.8820    3.8495    0.2434 H   0  0  0  0  0
    7.7888    1.3738   -1.6275 H   0  0  0  0  0
    7.7327    3.3965   -4.0849 H   0  0  0  0  0
   11.7033    5.0299   -4.2820 H   0  0  0  0  0
   12.1273    4.2635   -1.9563 H   0  0  0  0  0
   10.3603    3.0788   -0.7021 H   0  0  0  0  0
    8.6102    4.4411   -5.8739 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL34653

>  <PubChem CID>
13972256

>  <Formula>
C15H23NO

>  <Molecular Weight>
233.355000

>  <IUPAC Name>
3-[(1R,2S)-2-(dipropylamino)cyclopropyl]phenol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC1C2=CC(=CC=C2)O

>  <Isomeric SMILES>
CCCN(CCC)[C@H]1C[C@@H]1C2=CC(=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C15H23NO/c1-3-8-16(9-4-2)15-11-14(15)12-6-5-7-13(17)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3/t14-,15+/m1/s1

>  <InChI Key>
SGAIAYHFAITRSL-CABCVRRESA-N

