
 CHEMBL556194

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.7333   -1.2271    0.7023 C   0  0  0  0  0
    2.2758    0.0591    0.9031 O   0  0  0  0  0
    2.9670    1.1904    0.6017 C   0  0  0  0  0
    2.4148    2.4357    0.9740 C   0  0  0  0  0
    3.1105    3.6276    0.7176 C   0  0  0  0  0
    4.3399    3.5638    0.0608 C   0  0  0  0  0
    5.2819    4.6830   -0.2143 C   0  0  0  0  0
    6.1659    4.0290   -1.3031 C   0  0  0  0  0
    6.2195    2.5275   -0.9418 C   0  0  0  0  0
    4.8777    2.3599   -0.3219 C   0  0  0  0  0
    4.2238    1.1569   -0.0509 C   0  0  0  0  0
    7.4854    4.6389   -1.4292 N   0  0  0  0  0
    4.6397    5.9939   -0.6225 C   0  0  0  0  0
    4.8851    7.1509    0.1386 C   0  0  0  0  0
    4.2939    8.3672   -0.2144 C   0  0  0  0  0
    3.4527    8.4401   -1.3264 C   0  0  0  0  0
    3.2009    7.2975   -2.0890 C   0  0  0  0  0
    3.7887    6.0776   -1.7413 C   0  0  0  0  0
    1.2176    2.4840    1.6083 F   0  0  0  0  0
    1.5724   -0.5034   -3.1231 Cl  0  0  0  0  0
    1.9609   -1.9433    1.0493 H   0  0  0  0  0
    3.6618   -1.3983    1.2902 H   0  0  0  0  0
    2.9236   -1.4086   -0.3770 H   0  0  0  0  0
    2.7029    4.5789    1.0348 H   0  0  0  0  0
    5.8827    4.8095    0.7143 H   0  0  0  0  0
    5.6181    4.0887   -2.2733 H   0  0  0  0  0
    6.3899    1.9230   -1.8591 H   0  0  0  0  0
    6.9768    2.2956   -0.1609 H   0  0  0  0  0
    4.6875    0.2236   -0.3392 H   0  0  0  0  0
    8.0112    4.1506   -2.1903 H   0  0  0  0  0
    7.3697    5.6390   -1.7122 H   0  0  0  0  0
    5.5323    7.1103    1.0056 H   0  0  0  0  0
    4.4857    9.2525    0.3785 H   0  0  0  0  0
    2.9952    9.3840   -1.5961 H   0  0  0  0  0
    2.5474    7.3567   -2.9497 H   0  0  0  0  0
    3.5763    5.2000   -2.3369 H   0  0  0  0  0
    1.4985   -1.8113   -2.7025 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
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL556194

>  <PubChem CID>
11818685

>  <Formula>
C16H17ClFNO

>  <Molecular Weight>
293.766000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C2C(C(CC2=C1)N)C3=CC=CC=C3)F.Cl

>  <Isomeric SMILES>
COC1=C(C=C2[C@H]([C@@H](CC2=C1)N)C3=CC=CC=C3)F.Cl

>  <InChI Std. ID>
InChI=1S/C16H16FNO.ClH/c1-19-15-8-11-7-14(18)16(12(11)9-13(15)17)10-5-3-2-4-6-10;/h2-6,8-9,14,16H,7,18H2,1H3;1H/t14-,16-;/m1./s1

>  <InChI Key>
BVNLFNBKQAZJQE-VNYZMKMESA-N

