
 (2-{[2-(4-Fluorophenyl)-1H-indol-3-yl]thio}ethyl)amine

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.0532   -0.5899   -0.0405 C   0  0  0  0  0
    1.9695    0.7852    0.1606 C   0  0  0  0  0
    0.7303    1.4227    0.2641 C   0  0  0  0  0
   -0.4186    0.6297    0.1544 C   0  0  0  0  0
   -0.3725   -0.7487   -0.0437 C   0  0  0  0  0
    0.8933   -1.3668   -0.1435 C   0  0  0  0  0
   -1.7258   -1.1999   -0.1099 C   0  0  0  0  0
   -2.5697   -0.1063    0.0127 C   0  0  0  0  0
   -1.7453    0.9847    0.2027 N   0  0  0  0  0
   -4.0273    0.0446   -0.0266 C   0  0  0  0  0
   -4.6084    1.0729   -0.7879 C   0  0  0  0  0
   -5.9952    1.2381   -0.8219 C   0  0  0  0  0
   -6.8052    0.3722   -0.0990 C   0  0  0  0  0
   -6.2548   -0.6521    0.6590 C   0  0  0  0  0
   -4.8672   -0.8123    0.6987 C   0  0  0  0  0
   -8.1349    0.5289   -0.1334 F   0  0  0  0  0
   -2.1927   -2.8698   -0.3860 S   0  0  0  0  0
   -1.9672   -3.5300    1.2983 C   0  0  0  0  0
   -2.3474   -5.0124    1.3356 C   0  0  0  0  0
   -2.2261   -5.5601    2.6897 N   0  0  0  0  0
    3.0271   -1.0661   -0.1240 H   0  0  0  0  0
    2.8813    1.3736    0.2337 H   0  0  0  0  0
    0.6687    2.4956    0.4150 H   0  0  0  0  0
    0.9712   -2.4373   -0.3101 H   0  0  0  0  0
   -2.0743    1.9281    0.3481 H   0  0  0  0  0
   -3.9879    1.7433   -1.3781 H   0  0  0  0  0
   -6.4459    2.0292   -1.4117 H   0  0  0  0  0
   -6.9045   -1.3198    1.2159 H   0  0  0  0  0
   -4.4521   -1.6096    1.3082 H   0  0  0  0  0
   -2.5948   -2.9629    1.9937 H   0  0  0  0  0
   -0.9230   -3.4009    1.6021 H   0  0  0  0  0
   -1.7012   -5.5908    0.6649 H   0  0  0  0  0
   -3.3832   -5.1490    1.0042 H   0  0  0  0  0
   -1.2534   -5.5159    2.9926 H   0  0  0  0  0
   -2.4710   -6.5502    2.6713 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
(2-{[2-(4-Fluorophenyl)-1H-indol-3-yl]thio}ethyl)amine

>  <PubChem CID>
2049524

>  <Formula>
C16H15FN2S

>  <Molecular Weight>
286.368000

>  <IUPAC Name>
2-[[2-(4-fluorophenyl)-1H-indol-3-yl]sulfanyl]ethanamine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)SCCN

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)SCCN

>  <InChI Std. ID>
InChI=1S/C16H15FN2S/c17-12-7-5-11(6-8-12)15-16(20-10-9-18)13-3-1-2-4-14(13)19-15/h1-8,19H,9-10,18H2

>  <InChI Key>
DDOGPCPXKQEPLW-UHFFFAOYSA-N

