
 CHEMBL291620

 49 50  0  0  0  0  0  0  0  0999 V2000
    1.3727   -0.1130    1.8903 C   0  0  0  0  0
    2.5857   -0.0297    0.9738 C   0  0  0  0  0
    3.0825    1.4195    0.8378 C   0  0  0  0  0
    4.3346    1.5655    0.0807 N   0  0  0  0  0
    4.3556    0.9143   -1.2371 C   0  0  0  0  0
    3.2390    1.2763   -2.2258 C   0  0  0  0  0
    3.3614    0.4661   -3.5090 C   0  0  0  0  0
    4.9225    2.9295    0.0849 C   0  0  0  0  0
    5.5372    3.2487    1.4570 C   0  0  0  0  0
    6.3879    4.5169    1.3650 C   0  0  0  0  0
    5.6600    5.6937    0.7545 C   0  0  0  0  0
    6.1402    7.0103    0.9385 C   0  0  0  0  0
    5.4021    8.0861    0.4287 C   0  0  0  0  0
    4.2336    7.8800   -0.3036 C   0  0  0  0  0
    3.7930    6.5823   -0.5596 C   0  0  0  0  0
    4.5107    5.4819   -0.0416 C   0  0  0  0  0
    3.9858    4.0849   -0.3191 C   0  0  0  0  0
    2.6743    6.2700   -1.2904 O   0  0  0  0  0
    1.9094    7.3429   -1.8183 C   0  0  0  0  0
    7.3942    7.3185    1.7096 C   0  0  0  0  0
    0.9726   -1.1300    1.8960 H   0  0  0  0  0
    0.5791    0.5618    1.5563 H   0  0  0  0  0
    1.6410    0.1528    2.9164 H   0  0  0  0  0
    2.2990   -0.4322   -0.0036 H   0  0  0  0  0
    3.3833   -0.6691    1.3708 H   0  0  0  0  0
    3.2317    1.8047    1.8518 H   0  0  0  0  0
    2.2795    2.0130    0.3865 H   0  0  0  0  0
    4.3405   -0.1716   -1.0760 H   0  0  0  0  0
    5.3285    1.0918   -1.7162 H   0  0  0  0  0
    3.2798    2.3347   -2.4904 H   0  0  0  0  0
    2.2522    1.0884   -1.7909 H   0  0  0  0  0
    4.3074    0.6789   -4.0162 H   0  0  0  0  0
    2.5454    0.7170   -4.1931 H   0  0  0  0  0
    3.3140   -0.6071   -3.3025 H   0  0  0  0  0
    5.7686    2.9267   -0.6174 H   0  0  0  0  0
    6.1699    2.4212    1.8030 H   0  0  0  0  0
    4.7530    3.3944    2.2116 H   0  0  0  0  0
    7.2825    4.3140    0.7630 H   0  0  0  0  0
    6.7167    4.7673    2.3805 H   0  0  0  0  0
    5.7354    9.1091    0.6020 H   0  0  0  0  0
    3.7003    8.7494   -0.6677 H   0  0  0  0  0
    3.0299    4.0089    0.2078 H   0  0  0  0  0
    3.7922    4.0107   -1.3911 H   0  0  0  0  0
    1.1029    6.9095   -2.4220 H   0  0  0  0  0
    2.5081    7.9770   -2.4802 H   0  0  0  0  0
    1.4484    7.9269   -1.0158 H   0  0  0  0  0
    8.1306    6.5141    1.6276 H   0  0  0  0  0
    7.1564    7.4839    2.7646 H   0  0  0  0  0
    7.8776    8.2175    1.3119 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 17  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  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  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL291620

>  <PubChem CID>
44304338

>  <Formula>
C18H29NO

>  <Molecular Weight>
275.436000

>  <IUPAC Name>
8-methoxy-5-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C=CC(=C2C1)OC)C

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=C(C=CC(=C2C1)OC)C

>  <InChI Std. ID>
InChI=1S/C18H29NO/c1-5-11-19(12-6-2)15-8-9-16-14(3)7-10-18(20-4)17(16)13-15/h7,10,15H,5-6,8-9,11-13H2,1-4H3

>  <InChI Key>
ALBKVCFLVIPHKO-UHFFFAOYSA-N

