
 5-OH-Dpat

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.5098    0.8964   -3.7458 C   0  0  0  0  0
    4.3259    1.3056   -2.5274 C   0  0  0  0  0
    3.4647    1.3044   -1.2561 C   0  0  0  0  0
    4.1377    1.6669   -0.0005 N   0  0  0  0  0
    4.6474    0.5266    0.7614 C   0  0  0  0  0
    5.7221   -0.3751    0.1408 C   0  0  0  0  0
    7.0499    0.3001   -0.1536 C   0  0  0  0  0
    4.8689    2.9513    0.0155 C   0  0  0  0  0
    5.5591    3.2825    1.3519 C   0  0  0  0  0
    6.3778    4.5696    1.2422 C   0  0  0  0  0
    5.6068    5.7355    0.6857 C   0  0  0  0  0
    4.4314    5.5107   -0.0533 C   0  0  0  0  0
    3.8937    4.1188   -0.3019 C   0  0  0  0  0
    3.6903    6.6052   -0.5332 C   0  0  0  0  0
    4.1220    7.9113   -0.3120 C   0  0  0  0  0
    5.3057    8.1364    0.3807 C   0  0  0  0  0
    6.0448    7.0583    0.8611 C   0  0  0  0  0
    7.2079    7.3773    1.5048 O   0  0  0  0  0
    4.1468    0.8703   -4.6359 H   0  0  0  0  0
    2.6983    1.6076   -3.9303 H   0  0  0  0  0
    3.0737   -0.0990   -3.6122 H   0  0  0  0  0
    4.7451    2.2993   -2.7138 H   0  0  0  0  0
    5.1656    0.6136   -2.4313 H   0  0  0  0  0
    2.9887    0.3204   -1.1470 H   0  0  0  0  0
    2.6212    1.9904   -1.4059 H   0  0  0  0  0
    3.7850   -0.1207    0.9760 H   0  0  0  0  0
    4.9687    0.8334    1.7622 H   0  0  0  0  0
    5.3393   -0.8522   -0.7673 H   0  0  0  0  0
    5.9120   -1.1964    0.8438 H   0  0  0  0  0
    6.9542    1.0785   -0.9136 H   0  0  0  0  0
    7.7654   -0.4382   -0.5314 H   0  0  0  0  0
    7.4777    0.7427    0.7503 H   0  0  0  0  0
    5.6536    2.9328   -0.7501 H   0  0  0  0  0
    6.2526    2.4941    1.6577 H   0  0  0  0  0
    4.8090    3.3824    2.1480 H   0  0  0  0  0
    7.2494    4.3944    0.5992 H   0  0  0  0  0
    6.7465    4.8111    2.2462 H   0  0  0  0  0
    2.9872    4.0103    0.3098 H   0  0  0  0  0
    3.5911    4.0603   -1.3547 H   0  0  0  0  0
    2.7632    6.4400   -1.0782 H   0  0  0  0  0
    3.5392    8.7502   -0.6821 H   0  0  0  0  0
    5.6571    9.1513    0.5462 H   0  0  0  0  0
    7.7448    6.5770    1.6061 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 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 18 43  1  0  0  0
M  END

>  <Chemical Name>
5-OH-Dpat

>  <PubChem CID>
172267

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
6-(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=C2O

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=C(C1)C=CC=C2O

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

>  <InChI Key>
MDBWEQVKJDMEMK-UHFFFAOYSA-N

