
 CHEMBL3580901

 36 37  0  0  0  0  0  0  0  0999 V2000
   -2.4421   -0.6895    2.1907 C   0  0  0  0  0
   -1.7729   -1.0872    3.3533 C   0  0  0  0  0
   -0.7606   -2.0461    3.3041 C   0  0  0  0  0
   -0.3567   -2.5234    2.0567 C   0  0  0  0  0
   -1.0162   -2.1240    0.8890 C   0  0  0  0  0
   -2.0644   -1.1947    0.9398 C   0  0  0  0  0
   -2.7863   -0.8162   -0.3370 C   0  0  0  0  0
   -3.2756    0.6132   -0.4269 C   0  0  0  0  0
   -4.6426    0.8871   -0.5661 C   0  0  0  0  0
   -5.1040    2.2056   -0.6528 C   0  0  0  0  0
   -4.2050    3.2700   -0.5989 C   0  0  0  0  0
   -2.8406    3.0019   -0.4718 C   0  0  0  0  0
   -2.3758    1.6859   -0.3905 C   0  0  0  0  0
   -4.5275    4.5986   -0.6580 O   0  0  0  0  0
   -5.9200    4.9217   -0.7421 C   0  0  0  0  0
   -6.0758    6.4477   -0.6998 C   0  0  0  0  0
   -5.5304    7.0892   -1.9000 N   0  0  0  0  0
   -0.0162   -2.3486    4.4508 N   0  0  0  0  0
   -3.2473    0.0372    2.2750 H   0  0  0  0  0
   -2.0572   -0.6402    4.3019 H   0  0  0  0  0
    0.4763   -3.2170    1.9803 H   0  0  0  0  0
   -0.6935   -2.5383   -0.0635 H   0  0  0  0  0
   -3.6289   -1.5098   -0.4552 H   0  0  0  0  0
   -2.1281   -0.9855   -1.1997 H   0  0  0  0  0
   -5.3641    0.0739   -0.6070 H   0  0  0  0  0
   -6.1715    2.3622   -0.7626 H   0  0  0  0  0
   -2.1305    3.8239   -0.4320 H   0  0  0  0  0
   -1.3079    1.5041   -0.2864 H   0  0  0  0  0
   -6.4525    4.5006    0.1192 H   0  0  0  0  0
   -6.3471    4.5281   -1.6727 H   0  0  0  0  0
   -5.5517    6.8457    0.1761 H   0  0  0  0  0
   -7.1359    6.7072   -0.6150 H   0  0  0  0  0
   -4.5671    6.7683   -2.0213 H   0  0  0  0  0
   -5.4785    8.0955   -1.7492 H   0  0  0  0  0
    0.4521   -3.2480    4.4053 H   0  0  0  0  0
   -0.5361   -2.2299    5.3144 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  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 18  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3580901

>  <PubChem CID>
91938080

>  <Formula>
C15H18N2O

>  <Molecular Weight>
242.322000

>  <IUPAC Name>
4-[[4-(2-aminoethoxy)phenyl]methyl]aniline

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC=C1CC2=CC=C(C=C2)OCCN)N

>  <Isomeric SMILES>
C1=CC(=CC=C1CC2=CC=C(C=C2)OCCN)N

>  <InChI Std. ID>
InChI=1S/C15H18N2O/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8H,9-11,16-17H2

>  <InChI Key>
BAPSVLRSTQCAHQ-UHFFFAOYSA-N

