
 CHEMBL363466

 48 50  0  0  0  0  0  0  0  0999 V2000
    1.0354   -0.5531   -0.8062 C   0  0  0  0  0
    1.6375   -0.3001    0.5122 N   0  0  0  0  0
    2.6860   -1.3072    0.7351 C   0  0  0  0  0
    2.1896    1.0846    0.5940 C   0  0  0  0  0
    2.9198    1.3610    1.9332 C   0  0  0  0  0
    3.2167    2.8473    2.2061 C   0  0  0  0  0
    3.0262    3.7551    1.0117 C   0  0  0  0  0
    3.8697    4.8520    0.7136 C   0  0  0  0  0
    3.4818    5.7052   -0.3427 C   0  0  0  0  0
    2.3116    5.4981   -1.0731 C   0  0  0  0  0
    1.5179    4.3908   -0.8067 C   0  0  0  0  0
    1.8887    3.5054    0.2066 C   0  0  0  0  0
    1.1373    2.2047    0.4008 C   0  0  0  0  0
    5.1598    5.1198    1.4061 C   0  0  0  0  0
    5.3998    6.3527    2.0613 C   0  0  0  0  0
    6.6189    6.6059    2.7029 C   0  0  0  0  0
    7.6387    5.6610    2.6679 C   0  0  0  0  0
    7.4444    4.4550    1.9990 C   0  0  0  0  0
    6.2213    4.1765    1.3735 C   0  0  0  0  0
    6.0117    3.0221    0.6521 O   0  0  0  0  0
    6.7562    1.8785    1.0536 C   0  0  0  0  0
    4.3831    7.2794    2.1031 O   0  0  0  0  0
    4.8026    8.6019    1.7683 C   0  0  0  0  0
    0.1172    0.0235   -0.9417 H   0  0  0  0  0
    0.7350   -1.6023   -0.9035 H   0  0  0  0  0
    1.7251   -0.3214   -1.6253 H   0  0  0  0  0
    2.2910   -2.3196    0.5883 H   0  0  0  0  0
    3.0482   -1.2818    1.7673 H   0  0  0  0  0
    3.5367   -1.1734    0.0570 H   0  0  0  0  0
    2.9414    1.1820   -0.2052 H   0  0  0  0  0
    3.8710    0.8143    1.9493 H   0  0  0  0  0
    2.3298    0.9696    2.7735 H   0  0  0  0  0
    4.2114    2.9248    2.6493 H   0  0  0  0  0
    2.5294    3.2021    2.9862 H   0  0  0  0  0
    4.1096    6.5550   -0.6036 H   0  0  0  0  0
    2.0385    6.1861   -1.8679 H   0  0  0  0  0
    0.6342    4.2075   -1.4087 H   0  0  0  0  0
    0.4626    2.2821    1.2625 H   0  0  0  0  0
    0.5225    2.0278   -0.4864 H   0  0  0  0  0
    6.7833    7.5332    3.2419 H   0  0  0  0  0
    8.5877    5.8669    3.1550 H   0  0  0  0  0
    8.2730    3.7555    1.9638 H   0  0  0  0  0
    6.6840    1.7113    2.1347 H   0  0  0  0  0
    7.7999    1.9589    0.7358 H   0  0  0  0  0
    6.3255    1.0074    0.5523 H   0  0  0  0  0
    5.2240    9.1051    2.6442 H   0  0  0  0  0
    3.9173    9.1649    1.4534 H   0  0  0  0  0
    5.5159    8.6101    0.9363 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  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 19  1  0  0  0
 15 16  1  0  0  0
 15 22  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 43  1  0  0  0
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 23 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL363466

>  <PubChem CID>
10064052

>  <Formula>
C20H25NO2

>  <Molecular Weight>
311.425000

>  <IUPAC Name>
(2S)-5-(2,6-dimethoxyphenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1CCC2=C(C=CC=C2C1)C3=C(C=CC=C3OC)OC

>  <Isomeric SMILES>
CN(C)[C@H]1CCC2=C(C=CC=C2C1)C3=C(C=CC=C3OC)OC

>  <InChI Std. ID>
InChI=1S/C20H25NO2/c1-21(2)15-11-12-16-14(13-15)7-5-8-17(16)20-18(22-3)9-6-10-19(20)23-4/h5-10,15H,11-13H2,1-4H3/t15-/m0/s1

>  <InChI Key>
BFHVQDBLFZYJPG-HNNXBMFYSA-N

