
 CHEMBL301559

 43 44  0  0  0  0  0  0  0  0999 V2000
    5.2048    0.0760   -2.0116 C   0  0  0  0  0
    4.1079    1.1219   -2.1557 C   0  0  0  0  0
    3.2984    1.3231   -0.8651 C   0  0  0  0  0
    4.0661    1.7766    0.3153 N   0  0  0  0  0
    3.2305    1.7477    1.5375 C   0  0  0  0  0
    2.6918    0.3685    1.9562 C   0  0  0  0  0
    3.7857   -0.6646    2.1810 C   0  0  0  0  0
    4.7327    3.0997    0.0969 C   0  0  0  0  0
    5.6402    3.5127    1.2741 C   0  0  0  0  0
    6.4587    4.7504    0.9108 C   0  0  0  0  0
    5.5793    5.8930    0.4759 C   0  0  0  0  0
    4.3340    5.6511   -0.1275 C   0  0  0  0  0
    3.7747    4.2572   -0.2889 C   0  0  0  0  0
    3.5447    6.7382   -0.5336 C   0  0  0  0  0
    3.9879    8.0401   -0.3390 C   0  0  0  0  0
    5.2228    8.2884    0.2464 C   0  0  0  0  0
    6.0204    7.2144    0.6446 C   0  0  0  0  0
    3.1674    9.0561   -0.7328 O   0  0  0  0  0
    5.7033   -0.0784   -2.9727 H   0  0  0  0  0
    4.7882   -0.8833   -1.6905 H   0  0  0  0  0
    5.9603    0.3852   -1.2850 H   0  0  0  0  0
    3.4173    0.7912   -2.9417 H   0  0  0  0  0
    4.5358    2.0651   -2.5094 H   0  0  0  0  0
    2.8437    0.3494   -0.6550 H   0  0  0  0  0
    2.4656    2.0066   -1.0683 H   0  0  0  0  0
    2.3768    2.4261    1.4383 H   0  0  0  0  0
    3.8126    2.0985    2.3947 H   0  0  0  0  0
    1.9662   -0.0091    1.2295 H   0  0  0  0  0
    2.1357    0.4918    2.8946 H   0  0  0  0  0
    4.3580   -0.8506    1.2685 H   0  0  0  0  0
    3.3434   -1.6132    2.4995 H   0  0  0  0  0
    4.4778   -0.3354    2.9631 H   0  0  0  0  0
    5.4284    2.9652   -0.7437 H   0  0  0  0  0
    6.3225    2.6947    1.5341 H   0  0  0  0  0
    5.0477    3.7462    2.1654 H   0  0  0  0  0
    7.1598    4.5184    0.0993 H   0  0  0  0  0
    7.0519    5.0457    1.7851 H   0  0  0  0  0
    2.8688    4.2149    0.3230 H   0  0  0  0  0
    3.4698    4.1296   -1.3339 H   0  0  0  0  0
    2.5707    6.5719   -0.9896 H   0  0  0  0  0
    5.5778    9.3022    0.4040 H   0  0  0  0  0
    6.9869    7.4136    1.1017 H   0  0  0  0  0
    3.5888    9.8990   -0.4985 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 18  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>
CHEMBL301559

>  <PubChem CID>
6603867

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

>  <Isomeric SMILES>
CCCN(CCC)[C@@H]1CCC2=C(C1)C=C(C=C2)O

>  <InChI Std. ID>
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1

>  <InChI Key>
BLYMJBIZMIGWFK-OAHLLOKOSA-N

