
 CHEMBL26917

 44 45  0  0  0  0  0  0  0  0999 V2000
    0.5480   -0.5275   -0.5441 C   0  0  0  0  0
    2.0277   -0.3183   -0.4509 C   0  0  0  0  0
    2.5971    0.9462   -0.5384 C   0  0  0  0  0
    1.9162    2.2566   -0.8002 C   0  0  0  0  0
    2.9988    3.2551   -0.3738 C   0  0  0  0  0
    4.3468    2.5702   -0.6255 C   0  0  0  0  0
    3.9860    1.1270   -0.4372 C   0  0  0  0  0
    4.8473    0.0563   -0.2392 C   0  0  0  0  0
    4.2830   -1.2150   -0.1241 C   0  0  0  0  0
    2.8909   -1.3978   -0.2218 C   0  0  0  0  0
    6.1759    0.3579   -0.1753 O   0  0  0  0  0
    7.0763   -0.7220    0.0684 C   0  0  0  0  0
    8.4971   -0.1694    0.2067 C   0  0  0  0  0
    8.6102    0.8199    1.3860 C   0  0  0  0  0
   10.0266    1.2002    1.5714 N   0  0  0  0  0
   10.2037    2.1795    2.6567 C   0  0  0  0  0
    9.9444    1.5696    4.0356 C   0  0  0  0  0
   11.6380    2.7122    2.5943 C   0  0  0  0  0
    9.4151   -1.2512    0.4138 O   0  0  0  0  0
    0.3099   -1.5711   -0.7760 H   0  0  0  0  0
    0.1175    0.0855   -1.3425 H   0  0  0  0  0
    0.0715   -0.2664    0.4059 H   0  0  0  0  0
    1.0061    2.3849   -0.2075 H   0  0  0  0  0
    1.6870    2.3535   -1.8664 H   0  0  0  0  0
    2.8947    3.4614    0.7007 H   0  0  0  0  0
    2.9124    4.2133   -0.8953 H   0  0  0  0  0
    5.1027    2.9127    0.0869 H   0  0  0  0  0
    4.6924    2.7399   -1.6504 H   0  0  0  0  0
    4.8945   -2.0975    0.0373 H   0  0  0  0  0
    2.4893   -2.4052   -0.1249 H   0  0  0  0  0
    7.0488   -1.4350   -0.7650 H   0  0  0  0  0
    6.8086   -1.2553    0.9897 H   0  0  0  0  0
    8.7856    0.3416   -0.7199 H   0  0  0  0  0
    8.2482    0.3197    2.2904 H   0  0  0  0  0
    7.9932    1.7057    1.1994 H   0  0  0  0  0
   10.3589    1.6203    0.7003 H   0  0  0  0  0
    9.5266    3.0293    2.5042 H   0  0  0  0  0
   10.5462    0.6677    4.1936 H   0  0  0  0  0
    8.8911    1.3043    4.1686 H   0  0  0  0  0
   10.1972    2.2832    4.8275 H   0  0  0  0  0
   12.3715    1.9101    2.7355 H   0  0  0  0  0
   11.8057    3.4625    3.3743 H   0  0  0  0  0
   11.8396    3.1909    1.6293 H   0  0  0  0  0
   10.1686   -0.8455    0.8924 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  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  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 19  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL26917

>  <PubChem CID>
44276727

>  <Formula>
C16H25NO2

>  <Molecular Weight>
263.381000

>  <IUPAC Name>
1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C2CCCC2=C(C=C1)OCC(CNC(C)C)O

>  <Isomeric SMILES>
CC1=C2CCCC2=C(C=C1)OCC(CNC(C)C)O

>  <InChI Std. ID>
InChI=1S/C16H25NO2/c1-11(2)17-9-13(18)10-19-16-8-7-12(3)14-5-4-6-15(14)16/h7-8,11,13,17-18H,4-6,9-10H2,1-3H3

>  <InChI Key>
JLECPPBHIADANW-UHFFFAOYSA-N

