
 CHEMBL1224260

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.2795    0.4348   -0.2881 C   0  0  0  0  0
    2.7221    0.4671    0.2296 C   0  0  0  0  0
    3.4786   -0.7443   -0.2952 C   0  0  0  0  0
    4.1406   -0.7121   -1.5379 C   0  0  0  0  0
    4.8657   -1.8145   -1.9934 C   0  0  0  0  0
    4.8865   -2.9796   -1.2273 C   0  0  0  0  0
    4.2078   -3.0428   -0.0100 C   0  0  0  0  0
    3.5111   -1.9280    0.4562 C   0  0  0  0  0
    5.5863   -1.8717   -3.1550 O   0  0  0  0  0
    5.7220   -0.6532   -3.8777 C   0  0  0  0  0
    3.3332    1.7528   -0.1507 N   0  0  0  0  0
    4.6201    1.9722    0.5088 C   0  0  0  0  0
    5.1822    3.3270    0.1453 C   0  0  0  0  0
    5.0182    4.4138    1.0091 C   0  0  0  0  0
    5.5561    5.6537    0.6797 C   0  0  0  0  0
    6.2627    5.8175   -0.5149 C   0  0  0  0  0
    6.4312    4.7590   -1.4245 C   0  0  0  0  0
    5.8654    3.5172   -1.0713 C   0  0  0  0  0
    7.1946    4.9399   -2.6850 C   0  0  0  0  0
    8.0281    3.9182   -3.1841 C   0  0  0  0  0
    8.7739    4.0852   -4.3586 C   0  0  0  0  0
    8.7128    5.2836   -5.0625 C   0  0  0  0  0
    7.8993    6.3099   -4.5954 C   0  0  0  0  0
    7.1509    6.1327   -3.4299 C   0  0  0  0  0
    6.3723    7.1533   -3.0414 F   0  0  0  0  0
    0.6932    1.2582    0.1341 H   0  0  0  0  0
    0.7823   -0.5001   -0.0065 H   0  0  0  0  0
    1.2378    0.5149   -1.3803 H   0  0  0  0  0
    2.6802    0.4151    1.3262 H   0  0  0  0  0
    4.0852    0.2016   -2.1212 H   0  0  0  0  0
    5.4390   -3.8453   -1.5816 H   0  0  0  0  0
    4.2302   -3.9573    0.5757 H   0  0  0  0  0
    2.9923   -1.9897    1.4103 H   0  0  0  0  0
    6.3988   -0.8363   -4.7186 H   0  0  0  0  0
    6.1707    0.1320   -3.2583 H   0  0  0  0  0
    4.7593   -0.3325   -4.2877 H   0  0  0  0  0
    2.7076    2.5135    0.1102 H   0  0  0  0  0
    5.3576    1.2126    0.2207 H   0  0  0  0  0
    4.5127    1.9046    1.5995 H   0  0  0  0  0
    4.4768    4.2991    1.9460 H   0  0  0  0  0
    5.4341    6.4974    1.3549 H   0  0  0  0  0
    6.6887    6.7972   -0.7244 H   0  0  0  0  0
    5.9447    2.6708   -1.7501 H   0  0  0  0  0
    8.1247    2.9750   -2.6463 H   0  0  0  0  0
    9.4092    3.2784   -4.7149 H   0  0  0  0  0
    9.2975    5.4179   -5.9690 H   0  0  0  0  0
    7.8377    7.2547   -5.1293 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 11  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
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 17 19  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 45  1  0  0  0
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 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1224260

>  <PubChem CID>
49866000

>  <Formula>
C22H22FNO

>  <Molecular Weight>
335.422000

>  <IUPAC Name>
(1R)-N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)OC)NCC2=CC=CC(=C2)C3=CC=CC=C3F

>  <Isomeric SMILES>
C[C@H](C1=CC(=CC=C1)OC)NCC2=CC=CC(=C2)C3=CC=CC=C3F

>  <InChI Std. ID>
InChI=1S/C22H22FNO/c1-16(18-8-6-10-20(14-18)25-2)24-15-17-7-5-9-19(13-17)21-11-3-4-12-22(21)23/h3-14,16,24H,15H2,1-2H3/t16-/m1/s1

>  <InChI Key>
AKNXCVXQUJVRHZ-MRXNPFEDSA-N

