
 8-OH-Dpat

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.3438    0.5413   -0.1497 C   0  0  0  0  0
    4.1447    0.9841    1.0649 C   0  0  0  0  0
    3.6290    2.2941    1.6766 C   0  0  0  0  0
    3.7027    3.4878    0.8071 N   0  0  0  0  0
    2.9887    4.6319    1.4214 C   0  0  0  0  0
    1.4623    4.4576    1.4469 C   0  0  0  0  0
    0.7791    5.7057    1.9904 C   0  0  0  0  0
    5.1028    3.8466    0.4105 C   0  0  0  0  0
    6.0859    3.9692    1.6067 C   0  0  0  0  0
    7.2554    4.9088    1.3325 C   0  0  0  0  0
    6.7066    6.2645    0.9792 C   0  0  0  0  0
    5.6683    6.3323    0.0316 C   0  0  0  0  0
    5.1939    5.0402   -0.5949 C   0  0  0  0  0
    5.1525    7.5809   -0.3200 C   0  0  0  0  0
    5.6301    8.7457    0.2805 C   0  0  0  0  0
    6.6505    8.6689    1.2292 C   0  0  0  0  0
    7.1960    7.4323    1.5727 C   0  0  0  0  0
    4.1638    7.6513   -1.2589 O   0  0  0  0  0
    3.6768   -0.4505   -0.4776 H   0  0  0  0  0
    3.4717    1.2345   -0.9870 H   0  0  0  0  0
    2.2774    0.4753    0.0864 H   0  0  0  0  0
    5.2070    1.0513    0.8072 H   0  0  0  0  0
    4.0695    0.2009    1.8309 H   0  0  0  0  0
    4.1505    2.4715    2.6239 H   0  0  0  0  0
    2.5865    2.0998    1.9481 H   0  0  0  0  0
    3.1667    5.5418    0.8453 H   0  0  0  0  0
    3.3570    4.8253    2.4345 H   0  0  0  0  0
    1.1654    3.6120    2.0763 H   0  0  0  0  0
    1.0926    4.2583    0.4333 H   0  0  0  0  0
    1.0801    5.8935    3.0266 H   0  0  0  0  0
   -0.3084    5.5820    1.9700 H   0  0  0  0  0
    1.0323    6.5867    1.3938 H   0  0  0  0  0
    5.4523    2.9960   -0.1912 H   0  0  0  0  0
    6.4722    2.9773    1.8677 H   0  0  0  0  0
    5.5632    4.3394    2.4964 H   0  0  0  0  0
    7.8780    4.5375    0.5092 H   0  0  0  0  0
    7.8895    4.9667    2.2244 H   0  0  0  0  0
    4.2431    5.1633   -1.1244 H   0  0  0  0  0
    5.9243    4.7828   -1.3746 H   0  0  0  0  0
    5.2234    9.7183    0.0226 H   0  0  0  0  0
    7.0235    9.5745    1.7012 H   0  0  0  0  0
    7.9920    7.3846    2.3107 H   0  0  0  0  0
    3.9268    8.5823   -1.3937 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
M  END

>  <Chemical Name>
8-OH-Dpat

>  <PubChem CID>
1220

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3

>  <InChI Key>
ASXGJMSKWNBENU-UHFFFAOYSA-N

