
 CHEMBL229235

 43 44  0  0  0  0  0  0  0  0999 V2000
    4.9787    3.1527    1.7575 C   0  0  0  0  0
    3.8557    2.5781    2.3546 C   0  0  0  0  0
    3.0727    1.6634    1.6441 C   0  0  0  0  0
    3.4124    1.3031    0.3249 C   0  0  0  0  0
    4.5493    1.8952   -0.2667 C   0  0  0  0  0
    5.3222    2.8147    0.4480 C   0  0  0  0  0
    2.5453    0.2940   -0.4213 C   0  0  0  0  0
    2.0744    0.8375   -1.7873 C   0  0  0  0  0
    1.1269   -0.0780   -2.4198 N   0  0  0  0  0
    3.2329   -1.0628   -0.5299 C   0  0  0  0  0
    4.4147   -1.2438   -1.2726 C   0  0  0  0  0
    5.0215   -2.4998   -1.3457 C   0  0  0  0  0
    4.4588   -3.6039   -0.6773 C   0  0  0  0  0
    3.2732   -3.4308    0.0425 C   0  0  0  0  0
    2.6672   -2.1749    0.1217 C   0  0  0  0  0
    5.0083   -4.8470   -0.7383 O   0  0  0  0  0
    6.3132   -5.1697   -0.9477 C   0  0  0  0  0
    7.3711   -4.3254   -0.5486 C   0  0  0  0  0
    8.6976   -4.7057   -0.7743 C   0  0  0  0  0
    8.9814   -5.9265   -1.3913 C   0  0  0  0  0
    7.9393   -6.7734   -1.7767 C   0  0  0  0  0
    6.6113   -6.3987   -1.5507 C   0  0  0  0  0
    0.0853   -1.7648    4.1486 Cl  0  0  0  0  0
    5.5818    3.8625    2.3085 H   0  0  0  0  0
    3.5910    2.8410    3.3705 H   0  0  0  0  0
    2.2076    1.2266    2.1273 H   0  0  0  0  0
    4.8355    1.6668   -1.2804 H   0  0  0  0  0
    6.1890    3.2670   -0.0164 H   0  0  0  0  0
    1.6215    0.1471    0.1831 H   0  0  0  0  0
    2.9342    1.0084   -2.4709 H   0  0  0  0  0
    1.5652    1.8130   -1.6249 H   0  0  0  0  0
    1.6142   -0.9679   -2.6731 H   0  0  0  0  0
    0.7892    0.3563   -3.3091 H   0  0  0  0  0
    4.8687   -0.4260   -1.8052 H   0  0  0  0  0
    5.9204   -2.6081   -1.9367 H   0  0  0  0  0
    2.8210   -4.2745    0.5487 H   0  0  0  0  0
    1.7529   -2.0710    0.6928 H   0  0  0  0  0
    7.1744   -3.3833   -0.0550 H   0  0  0  0  0
    9.5061   -4.0548   -0.4673 H   0  0  0  0  0
   10.0088   -6.2187   -1.5656 H   0  0  0  0  0
    8.1602   -7.7212   -2.2500 H   0  0  0  0  0
    5.8097   -7.0616   -1.8513 H   0  0  0  0  0
    1.3725   -1.6453    3.6788 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7 10  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL229235

>  <PubChem CID>
16735929

>  <Formula>
C20H20ClNO

>  <Molecular Weight>
325.836000

>  <IUPAC Name>
2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C(CN)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(CN)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl

>  <InChI Std. ID>
InChI=1S/C20H19NO.ClH/c21-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)22-18-9-5-2-6-10-18;/h1-14,20H,15,21H2;1H

>  <InChI Key>
APTYMINYEAZQBG-UHFFFAOYSA-N

