
 CHEMBL552612

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.3053    0.1877    0.3788 C   0  0  0  0  0
    2.8006    0.2200    0.0144 C   0  0  0  0  0
    3.1019   -0.6187   -1.2307 C   0  0  0  0  0
    3.8916   -1.7722   -1.0582 C   0  0  0  0  0
    4.2324   -2.5802   -2.1391 C   0  0  0  0  0
    3.7956   -2.2623   -3.4199 C   0  0  0  0  0
    3.0132   -1.1215   -3.6376 C   0  0  0  0  0
    2.5893   -0.8101   -4.9390 C   0  0  0  0  0
    1.8218    0.3285   -5.1754 C   0  0  0  0  0
    1.4780    1.1709   -4.1209 C   0  0  0  0  0
    1.8926    0.8805   -2.8188 C   0  0  0  0  0
    2.6584   -0.2775   -2.5472 C   0  0  0  0  0
    3.2967    1.6022   -0.1359 N   0  0  0  0  0
    4.7584    1.6242   -0.3134 C   0  0  0  0  0
    5.2656    3.0246   -0.4595 C   0  0  0  0  0
    5.9143    3.5325   -1.5818 C   0  0  0  0  0
    6.2255    4.8355   -1.2667 C   0  0  0  0  0
    5.7677    5.0707    0.0022 C   0  0  0  0  0
    5.1772    3.9720    0.5034 N   0  0  0  0  0
    5.9356    6.3043    0.6262 C   0  0  0  0  0
    6.5970    7.3200   -0.0909 C   0  0  0  0  0
    7.0677    7.0779   -1.4035 C   0  0  0  0  0
    6.8810    5.8178   -2.0039 C   0  0  0  0  0
    7.7041    8.0620   -2.0854 F   0  0  0  0  0
   -1.9917   -0.4367   -2.3188 Cl  0  0  0  0  0
    1.1347    0.7516    1.3205 H   0  0  0  0  0
    0.9866   -0.8632    0.5483 H   0  0  0  0  0
    0.6446    0.6174   -0.3946 H   0  0  0  0  0
    3.3080   -0.2329    0.8982 H   0  0  0  0  0
    4.2516   -2.0473   -0.0745 H   0  0  0  0  0
    4.8433   -3.4596   -1.9816 H   0  0  0  0  0
    4.0750   -2.9043   -4.2469 H   0  0  0  0  0
    2.8566   -1.4492   -5.7724 H   0  0  0  0  0
    1.4984    0.5624   -6.1815 H   0  0  0  0  0
    0.8881    2.0582   -4.3130 H   0  0  0  0  0
    1.6133    1.5734   -2.0445 H   0  0  0  0  0
    3.0622    2.1362    0.7341 H   0  0  0  0  0
    5.0378    1.0655   -1.2322 H   0  0  0  0  0
    5.2660    1.1517    0.5565 H   0  0  0  0  0
    6.1349    3.0118   -2.5046 H   0  0  0  0  0
    4.7484    3.8679    1.4500 H   0  0  0  0  0
    5.5730    6.4769    1.6310 H   0  0  0  0  0
    6.7464    8.2898    0.3655 H   0  0  0  0  0
    7.2386    5.6183   -3.0059 H   0  0  0  0  0
   -1.5439   -0.0544   -3.5618 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 23  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 44  1  0  0  0
 25 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL552612

>  <PubChem CID>
45261579

>  <Formula>
C21H20ClFN2

>  <Molecular Weight>
354.853000

>  <IUPAC Name>
N-[(5-fluoro-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)F.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)F.Cl

>  <InChI Std. ID>
InChI=1S/C21H19FN2.ClH/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)23-13-18-12-16-11-17(22)9-10-21(16)24-18;/h2-12,14,23-24H,13H2,1H3;1H

>  <InChI Key>
NESKLJNRQAHQMK-UHFFFAOYSA-N

