
 CHEMBL558364

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.5778   -1.0898   -0.7282 C   0  0  0  0  0
    2.6552   -0.1976   -0.0252 N   0  0  0  0  0
    3.0149    1.2207   -0.1769 C   0  0  0  0  0
    4.3948    1.6027    0.4143 C   0  0  0  0  0
    4.1599    3.0106    0.8180 C   0  0  0  0  0
    5.1324    3.9184    1.2363 C   0  0  0  0  0
    4.7414    5.1820    1.7114 C   0  0  0  0  0
    3.3541    5.5051    1.7629 C   0  0  0  0  0
    2.3987    4.5626    1.3456 C   0  0  0  0  0
    2.8277    3.3242    0.8657 C   0  0  0  0  0
    1.9724    2.1691    0.4804 C   0  0  0  0  0
    0.8248    2.5228   -0.4505 C   0  0  0  0  0
    1.0592    3.1758   -1.6779 C   0  0  0  0  0
   -0.0079    3.4964   -2.5221 C   0  0  0  0  0
   -1.3153    3.1735   -2.1524 C   0  0  0  0  0
   -1.5591    2.5310   -0.9360 C   0  0  0  0  0
   -0.4959    2.2074   -0.0864 C   0  0  0  0  0
    2.9169    6.6998    2.2307 F   0  0  0  0  0
    5.7225    6.0302    2.1301 O   0  0  0  0  0
    5.5425    7.2489    2.7482 C   0  0  0  0  0
   -0.1850   -3.0103    2.3089 Cl  0  0  0  0  0
    3.2552   -2.1416   -0.5751 H   0  0  0  0  0
    4.6128   -0.9901   -0.3348 H   0  0  0  0  0
    3.5654   -0.8761   -1.8175 H   0  0  0  0  0
    2.6547   -0.4482    0.9920 H   0  0  0  0  0
    3.0809    1.4959   -1.2542 H   0  0  0  0  0
    5.1924    1.4704   -0.3494 H   0  0  0  0  0
    4.6406    1.0457    1.3431 H   0  0  0  0  0
    6.1784    3.6414    1.2158 H   0  0  0  0  0
    1.3423    4.7904    1.4096 H   0  0  0  0  0
    1.5972    1.7392    1.4360 H   0  0  0  0  0
    2.0653    3.4396   -1.9781 H   0  0  0  0  0
    0.1792    3.9971   -3.4635 H   0  0  0  0  0
   -2.1399    3.4229   -2.8079 H   0  0  0  0  0
   -2.5734    2.2835   -0.6509 H   0  0  0  0  0
   -0.7016    1.7095    0.8527 H   0  0  0  0  0
    5.0066    7.9538    2.0794 H   0  0  0  0  0
    6.5370    7.6820    2.9805 H   0  0  0  0  0
    4.9923    7.1133    3.7044 H   0  0  0  0  0
    1.1761   -3.1807    2.4116 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 19 20  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL558364

>  <PubChem CID>
11301267

>  <Formula>
C17H19ClFNO

>  <Molecular Weight>
307.793000

>  <IUPAC Name>
(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CNC1CC2=CC(=C(C=C2C1C3=CC=CC=C3)F)OC.Cl

>  <Isomeric SMILES>
CN[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)F)OC.Cl

>  <InChI Std. ID>
InChI=1S/C17H18FNO.ClH/c1-19-15-8-12-9-16(20-2)14(18)10-13(12)17(15)11-6-4-3-5-7-11;/h3-7,9-10,15,17,19H,8H2,1-2H3;1H/t15-,17-;/m1./s1

>  <InChI Key>
APNBBDIXKGRUKM-SSPJITILSA-N

