
 CHEMBL175272

 28 28  0  0  0  0  0  0  0  0999 V2000
    3.0765    1.4903    0.1028 C   0  0  0  0  0
    2.7188    0.0045    0.1112 C   0  0  0  0  0
    2.9946   -0.6159   -1.2763 C   0  0  0  0  0
    2.5970   -2.0712   -1.3893 C   0  0  0  0  0
    3.5084   -3.1070   -1.1524 C   0  0  0  0  0
    3.1306   -4.4492   -1.2548 C   0  0  0  0  0
    1.8180   -4.7740   -1.5973 C   0  0  0  0  0
    0.8983   -3.7490   -1.8299 C   0  0  0  0  0
    1.2800   -2.4093   -1.7247 C   0  0  0  0  0
    1.3102   -6.0372   -1.7341 O   0  0  0  0  0
    2.2003   -7.1212   -1.5011 C   0  0  0  0  0
    4.7913   -2.7842   -0.8019 O   0  0  0  0  0
    3.4804   -0.6406    1.1897 N   0  0  0  0  0
    2.8632    1.9525    1.0734 H   0  0  0  0  0
    2.4916    2.0254   -0.6534 H   0  0  0  0  0
    4.1384    1.6478   -0.1201 H   0  0  0  0  0
    1.6526   -0.0915    0.3486 H   0  0  0  0  0
    4.0520   -0.4963   -1.5463 H   0  0  0  0  0
    2.4437   -0.0499   -2.0404 H   0  0  0  0  0
    3.8635   -5.2227   -1.0624 H   0  0  0  0  0
   -0.1270   -3.9965   -2.0952 H   0  0  0  0  0
    0.5411   -1.6329   -1.9099 H   0  0  0  0  0
    1.6419   -8.0505   -1.6483 H   0  0  0  0  0
    2.5693   -7.1139   -0.4702 H   0  0  0  0  0
    3.0282   -7.1129   -2.2176 H   0  0  0  0  0
    5.3136   -3.5999   -0.7299 H   0  0  0  0  0
    4.4577   -0.7089    0.8980 H   0  0  0  0  0
    3.1794   -1.6154    1.2487 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 26  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL175272

>  <PubChem CID>
12611604

>  <Formula>
C10H15NO2

>  <Molecular Weight>
181.235000

>  <IUPAC Name>
2-(2-aminopropyl)-5-methoxyphenol

>  <XlogP>
1.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC1=C(C=C(C=C1)OC)O)N

>  <Isomeric SMILES>
CC(CC1=C(C=C(C=C1)OC)O)N

>  <InChI Std. ID>
InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(13-2)6-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3

>  <InChI Key>
ARTJBMNMNUEEDA-UHFFFAOYSA-N

