
 UNII-QQYOR9S587

 49 50  0  0  0  0  0  0  0  0999 V2000
    0.7949    0.7954    0.1274 C   0  0  0  0  0
    1.8696    0.5302   -0.9182 C   0  0  0  0  0
    2.9183    1.6541   -1.0238 C   0  0  0  0  0
    3.6485    1.9690    0.2204 N   0  0  0  0  0
    4.3019    0.7900    0.8154 C   0  0  0  0  0
    5.2311   -0.0823   -0.0461 C   0  0  0  0  0
    6.5034    0.5865   -0.5302 C   0  0  0  0  0
    4.4618    3.2225    0.1273 C   0  0  0  0  0
    5.2983    3.5128    1.3935 C   0  0  0  0  0
    6.2113    4.7239    1.2196 C   0  0  0  0  0
    5.5455    5.9371    0.6307 C   0  0  0  0  0
    4.3573    5.8117   -0.1088 C   0  0  0  0  0
    3.5872    4.4973   -0.1769 C   0  0  0  0  0
    2.3627    4.6159    0.7508 C   0  0  0  0  0
    3.8230    6.9486   -0.7432 C   0  0  0  0  0
    4.4439    8.1909   -0.6338 C   0  0  0  0  0
    5.6042    8.3204    0.1231 C   0  0  0  0  0
    6.1480    7.2042    0.7631 C   0  0  0  0  0
    7.3056    7.2779    1.4982 O   0  0  0  0  0
    7.3621    8.4044    2.3715 C   0  0  0  0  0
    0.0557   -0.0124    0.1176 H   0  0  0  0  0
    0.2713    1.7344   -0.0763 H   0  0  0  0  0
    1.2146    0.8475    1.1365 H   0  0  0  0  0
    1.3813    0.4268   -1.8952 H   0  0  0  0  0
    2.3440   -0.4355   -0.7157 H   0  0  0  0  0
    2.3640    2.5313   -1.3704 H   0  0  0  0  0
    3.6255    1.4093   -1.8254 H   0  0  0  0  0
    3.5034    0.1270    1.1735 H   0  0  0  0  0
    4.8095    1.0439    1.7504 H   0  0  0  0  0
    4.6919   -0.4900   -0.9079 H   0  0  0  0  0
    5.5167   -0.9524    0.5596 H   0  0  0  0  0
    6.2959    1.3473   -1.2855 H   0  0  0  0  0
    7.1580   -0.1584   -0.9951 H   0  0  0  0  0
    7.0546    1.0430    0.2976 H   0  0  0  0  0
    5.1659    3.1139   -0.7072 H   0  0  0  0  0
    5.9608    2.6791    1.6433 H   0  0  0  0  0
    4.6392    3.6633    2.2572 H   0  0  0  0  0
    7.0443    4.4493    0.5590 H   0  0  0  0  0
    6.6386    4.9626    2.2009 H   0  0  0  0  0
    3.2285    4.4126   -1.2109 H   0  0  0  0  0
    2.6572    4.7702    1.7942 H   0  0  0  0  0
    1.7277    3.7275    0.7059 H   0  0  0  0  0
    1.7316    5.4659    0.4653 H   0  0  0  0  0
    2.9055    6.8689   -1.3241 H   0  0  0  0  0
    4.0208    9.0578   -1.1346 H   0  0  0  0  0
    6.0830    9.2923    0.1847 H   0  0  0  0  0
    8.1079    8.1918    3.1437 H   0  0  0  0  0
    6.4042    8.5828    2.8740 H   0  0  0  0  0
    7.6883    9.2970    1.8289 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 13  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 18  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 19 20  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>
UNII-QQYOR9S587

>  <PubChem CID>
6604756

>  <Formula>
C18H29NO

>  <Molecular Weight>
275.436000

>  <IUPAC Name>
(1S,2R)-5-methoxy-1-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(C1C)C=CC=C2OC

>  <Isomeric SMILES>
CCCN(CCC)[C@@H]1CCC2=C([C@@H]1C)C=CC=C2OC

>  <InChI Std. ID>
InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1

>  <InChI Key>
BTOJYCTUJJHANF-WMLDXEAASA-N

