
 CHEMBL44255

 46 47  0  0  0  0  0  0  0  0999 V2000
    4.5007   -1.8442    2.0190 C   0  0  0  0  0
    4.1332   -0.9701    0.8271 C   0  0  0  0  0
    4.8029    0.4088    0.9285 C   0  0  0  0  0
    4.5384    1.3146   -0.2062 N   0  0  0  0  0
    3.0962    1.5148   -0.4787 C   0  0  0  0  0
    2.2631    2.1093    0.6705 C   0  0  0  0  0
    0.7985    2.2579    0.2858 C   0  0  0  0  0
    5.2069    2.6208   -0.0302 C   0  0  0  0  0
    6.7500    2.6100    0.0423 C   0  0  0  0  0
    7.2472    4.0336    0.3377 C   0  0  0  0  0
    8.7485    4.0251    0.5973 C   0  0  0  0  0
    9.5143    3.3218   -0.4915 C   0  0  0  0  0
   10.8893    3.5738   -0.6203 C   0  0  0  0  0
   11.6204    2.9310   -1.6094 C   0  0  0  0  0
   11.0068    2.0307   -2.4704 C   0  0  0  0  0
    9.6498    1.7541   -2.3445 C   0  0  0  0  0
    8.8899    2.3864   -1.3438 C   0  0  0  0  0
    7.4037    2.0929   -1.2518 C   0  0  0  0  0
   11.7203    1.4055   -3.4532 O   0  0  0  0  0
   12.9326    3.1822   -1.7409 F   0  0  0  0  0
    4.0342   -2.8299    1.9253 H   0  0  0  0  0
    4.1524   -1.3927    2.9539 H   0  0  0  0  0
    5.5839   -1.9846    2.0878 H   0  0  0  0  0
    3.0423   -0.8805    0.8029 H   0  0  0  0  0
    4.4450   -1.4695   -0.0977 H   0  0  0  0  0
    5.8808    0.2193    0.9817 H   0  0  0  0  0
    4.5209    0.8835    1.8765 H   0  0  0  0  0
    2.6534    0.5639   -0.7982 H   0  0  0  0  0
    2.9959    2.1624   -1.3604 H   0  0  0  0  0
    2.6420    3.0982    0.9490 H   0  0  0  0  0
    2.3223    1.4751    1.5613 H   0  0  0  0  0
    0.6848    2.9123   -0.5840 H   0  0  0  0  0
    0.2354    2.6973    1.1158 H   0  0  0  0  0
    0.3534    1.2862    0.0510 H   0  0  0  0  0
    4.8320    3.1045    0.8801 H   0  0  0  0  0
    4.9247    3.2731   -0.8682 H   0  0  0  0  0
    7.0732    1.9782    0.8790 H   0  0  0  0  0
    6.7375    4.4454    1.2167 H   0  0  0  0  0
    7.0149    4.6948   -0.5077 H   0  0  0  0  0
    8.9556    3.5176    1.5478 H   0  0  0  0  0
    9.0945    5.0611    0.6916 H   0  0  0  0  0
   11.3944    4.2730    0.0396 H   0  0  0  0  0
    9.1842    1.0490   -3.0269 H   0  0  0  0  0
    6.9223    2.5567   -2.1225 H   0  0  0  0  0
    7.2466    1.0097   -1.3256 H   0  0  0  0  0
   12.6383    1.7297   -3.3806 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL44255

>  <PubChem CID>
44288755

>  <Formula>
C17H26FNO

>  <Molecular Weight>
279.399000

>  <IUPAC Name>
7-[(dipropylamino)methyl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)CC1CCC2=CC(=C(C=C2C1)O)F

>  <Isomeric SMILES>
CCCN(CCC)CC1CCC2=CC(=C(C=C2C1)O)F

>  <InChI Std. ID>
InChI=1S/C17H26FNO/c1-3-7-19(8-4-2)12-13-5-6-14-10-16(18)17(20)11-15(14)9-13/h10-11,13,20H,3-9,12H2,1-2H3

>  <InChI Key>
CTTCBQKBUHBEOW-UHFFFAOYSA-N

