
 CHEMBL273208

 44 46  0  0  0  0  0  0  0  0999 V2000
   -3.2354    1.5105   -0.3100 C   0  0  0  0  0
   -2.0735    1.3446    0.6211 C   0  0  0  0  0
   -1.9172    2.2631    1.5973 N   0  0  0  0  0
   -0.8621    2.1132    2.4357 C   0  0  0  0  0
    0.0793    1.0934    2.3516 C   0  0  0  0  0
   -0.0783    0.2012    1.2835 C   0  0  0  0  0
   -1.1984    0.2830    0.4545 C   0  0  0  0  0
    0.8852   -0.7702    1.1133 O   0  0  0  0  0
    1.2585   -1.1456   -0.1624 C   0  0  0  0  0
    1.3276   -0.2321   -1.2243 C   0  0  0  0  0
    1.6208   -0.6696   -2.5177 C   0  0  0  0  0
    1.8858   -2.0160   -2.7540 C   0  0  0  0  0
    1.8958   -2.9190   -1.6907 C   0  0  0  0  0
    1.6163   -2.4846   -0.3890 C   0  0  0  0  0
    1.6498   -3.4702    0.5766 O   0  0  0  0  0
    2.1751   -3.1560    1.8094 C   0  0  0  0  0
    3.3677   -2.4464    1.9782 C   0  0  0  0  0
    3.8037   -2.1230    3.2644 C   0  0  0  0  0
    3.0681   -2.5365    4.3760 C   0  0  0  0  0
    1.9034   -3.2855    4.2054 C   0  0  0  0  0
    1.4614   -3.6034    2.9215 C   0  0  0  0  0
    1.2207    0.9425    3.3292 C   0  0  0  0  0
    1.1652    1.8803    4.4610 N   0  0  0  0  0
    2.3381    1.7443    5.3145 C   0  0  0  0  0
   -3.6966    2.4947   -0.1823 H   0  0  0  0  0
   -3.9888    0.7422   -0.1140 H   0  0  0  0  0
   -2.9018    1.4302   -1.3503 H   0  0  0  0  0
   -0.8006    2.8796    3.2035 H   0  0  0  0  0
   -1.3699   -0.4459   -0.3302 H   0  0  0  0  0
    1.1318    0.8249   -1.0618 H   0  0  0  0  0
    1.6311    0.0410   -3.3407 H   0  0  0  0  0
    2.0958   -2.3611   -3.7633 H   0  0  0  0  0
    2.1230   -3.9662   -1.8749 H   0  0  0  0  0
    3.9464   -2.1224    1.1180 H   0  0  0  0  0
    4.7132   -1.5432    3.3987 H   0  0  0  0  0
    3.4034   -2.2771    5.3767 H   0  0  0  0  0
    1.3351   -3.6162    5.0703 H   0  0  0  0  0
    0.5486   -4.1765    2.7840 H   0  0  0  0  0
    2.1586    1.0869    2.7795 H   0  0  0  0  0
    1.2002   -0.0799    3.7258 H   0  0  0  0  0
    0.3362    1.6673    5.0162 H   0  0  0  0  0
    3.2622    1.9342    4.7592 H   0  0  0  0  0
    2.3893    0.7505    5.7707 H   0  0  0  0  0
    2.2843    2.4818    6.1220 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL273208

>  <PubChem CID>
25022704

>  <Formula>
C20H20N2O2

>  <Molecular Weight>
320.392000

>  <IUPAC Name>
N-methyl-1-[6-methyl-4-(2-phenoxyphenoxy)pyridin-3-yl]methanamine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC=C(C(=C1)OC2=CC=CC=C2OC3=CC=CC=C3)CNC

>  <Isomeric SMILES>
CC1=NC=C(C(=C1)OC2=CC=CC=C2OC3=CC=CC=C3)CNC

>  <InChI Std. ID>
InChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3

>  <InChI Key>
AIBJZSMLYKTKIK-UHFFFAOYSA-N

