
 CHEMBL299511

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.5839   -0.6765   -0.1710 C   0  0  0  0  0
   -1.0862    0.2331   -1.1005 C   0  0  0  0  0
    0.2843    0.5085   -1.1488 C   0  0  0  0  0
    1.1732   -0.0958   -0.2479 C   0  0  0  0  0
    0.6480   -1.0066    0.6860 C   0  0  0  0  0
   -0.7167   -1.3032    0.7196 C   0  0  0  0  0
    2.6292    0.1580   -0.3009 C   0  0  0  0  0
    3.1997    1.4244   -0.0046 C   0  0  0  0  0
    4.6076    1.5739    0.0104 C   0  0  0  0  0
    5.4554    0.5050   -0.2693 C   0  0  0  0  0
    4.9010   -0.7190   -0.5836 C   0  0  0  0  0
    3.5167   -0.8942   -0.6155 C   0  0  0  0  0
    3.0940   -2.1536   -0.9823 O   0  0  0  0  0
    5.7271   -1.7704   -0.8663 O   0  0  0  0  0
    2.3824    2.6548    0.3484 C   0  0  0  0  0
    2.1309    2.7799    1.8535 C   0  0  0  0  0
    1.4088    4.0157    2.1594 N   0  0  0  0  0
   -2.6483   -0.8954   -0.1381 H   0  0  0  0  0
   -1.7632    0.7303   -1.7904 H   0  0  0  0  0
    0.6522    1.2093   -1.8956 H   0  0  0  0  0
    1.3101   -1.5056    1.3937 H   0  0  0  0  0
   -1.1006   -2.0205    1.4398 H   0  0  0  0  0
    5.0524    2.5378    0.2528 H   0  0  0  0  0
    6.5333    0.6290   -0.2460 H   0  0  0  0  0
    2.1385   -2.1044   -1.1676 H   0  0  0  0  0
    5.1163   -2.5142   -1.0437 H   0  0  0  0  0
    1.4358    2.6725   -0.1985 H   0  0  0  0  0
    2.9209    3.5435   -0.0101 H   0  0  0  0  0
    3.0803    2.7794    2.4012 H   0  0  0  0  0
    1.5461    1.9269    2.2141 H   0  0  0  0  0
    1.9702    4.8199    1.8816 H   0  0  0  0  0
    1.2842    4.0899    3.1682 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL299511

>  <PubChem CID>
13678304

>  <Formula>
C14H15NO2

>  <Molecular Weight>
229.279000

>  <IUPAC Name>
4-(2-aminoethyl)-3-phenylbenzene-1,2-diol

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=C(C=CC(=C2O)O)CCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=C(C=CC(=C2O)O)CCN

>  <InChI Std. ID>
InChI=1S/C14H15NO2/c15-9-8-11-6-7-12(16)14(17)13(11)10-4-2-1-3-5-10/h1-7,16-17H,8-9,15H2

>  <InChI Key>
DAKLNHHLHPIOPS-UHFFFAOYSA-N

