
 CHEMBL64508

 35 36  0  0  0  0  0  0  0  0999 V2000
   -1.4234    0.0736    0.3397 C   0  0  0  0  0
   -0.9226    0.0429   -0.9604 C   0  0  0  0  0
    0.4549    0.0896   -1.1810 C   0  0  0  0  0
    1.3460    0.1739   -0.1013 C   0  0  0  0  0
    0.8306    0.1901    1.2028 C   0  0  0  0  0
   -0.5474    0.1453    1.4215 C   0  0  0  0  0
    2.8365    0.2087   -0.3379 C   0  0  0  0  0
    3.4076   -1.1328   -0.2543 N   0  0  0  0  0
    4.8430   -1.1203   -0.5574 C   0  0  0  0  0
    5.4398   -2.5329   -0.4753 C   0  0  0  0  0
    4.9772   -3.3089   -1.5864 O   0  0  0  0  0
    5.4291   -4.6006   -1.6616 C   0  0  0  0  0
    6.2821   -5.2239   -0.7463 C   0  0  0  0  0
    6.6679   -6.5550   -0.9350 C   0  0  0  0  0
    6.2048   -7.2678   -2.0382 C   0  0  0  0  0
    5.3587   -6.6460   -2.9470 C   0  0  0  0  0
    4.9682   -5.3208   -2.7683 C   0  0  0  0  0
    4.9267   -7.3781   -4.0139 O   0  0  0  0  0
   -2.4958    0.0348    0.5105 H   0  0  0  0  0
   -1.6052   -0.0213   -1.8037 H   0  0  0  0  0
    0.8308    0.0582   -2.2007 H   0  0  0  0  0
    1.5065    0.2301    2.0543 H   0  0  0  0  0
   -0.9361    0.1600    2.4360 H   0  0  0  0  0
    3.2981    0.8653    0.4107 H   0  0  0  0  0
    3.0358    0.6602   -1.3182 H   0  0  0  0  0
    2.9335   -1.7451   -0.9205 H   0  0  0  0  0
    5.3602   -0.4819    0.1675 H   0  0  0  0  0
    5.0075   -0.7159   -1.5632 H   0  0  0  0  0
    5.1460   -3.0031    0.4715 H   0  0  0  0  0
    6.5321   -2.4459   -0.5217 H   0  0  0  0  0
    6.6634   -4.7067    0.1276 H   0  0  0  0  0
    7.3286   -7.0359   -0.2184 H   0  0  0  0  0
    6.4999   -8.3023   -2.1877 H   0  0  0  0  0
    4.3065   -4.8332   -3.4769 H   0  0  0  0  0
    4.3353   -6.8233   -4.5485 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  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  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL64508

>  <PubChem CID>
11776546

>  <Formula>
C15H17NO2

>  <Molecular Weight>
243.306000

>  <IUPAC Name>
3-[2-(benzylamino)ethoxy]phenol

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CNCCOC2=CC=CC(=C2)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CNCCOC2=CC=CC(=C2)O

>  <InChI Std. ID>
InChI=1S/C15H17NO2/c17-14-7-4-8-15(11-14)18-10-9-16-12-13-5-2-1-3-6-13/h1-8,11,16-17H,9-10,12H2

>  <InChI Key>
VBTFJGYCISLKEQ-UHFFFAOYSA-N

