
 4-(2-Aminoethyl)-2-methoxyphenol

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.9435    0.1203    0.3516 C   0  0  0  0  0
    2.3320    0.1656    0.0597 O   0  0  0  0  0
    2.9391    1.3903   -0.0122 C   0  0  0  0  0
    2.3829    2.6551    0.2061 C   0  0  0  0  0
    3.1741    3.8037    0.0917 C   0  0  0  0  0
    4.5240    3.7006   -0.2486 C   0  0  0  0  0
    5.0973    2.4484   -0.4835 C   0  0  0  0  0
    4.2975    1.3040   -0.3527 C   0  0  0  0  0
    6.5561    2.3278   -0.8507 C   0  0  0  0  0
    7.4498    2.1971    0.3868 C   0  0  0  0  0
    8.8592    2.1006    0.0094 N   0  0  0  0  0
    1.0652    2.8118    0.5363 O   0  0  0  0  0
    0.6398   -0.9312    0.3427 H   0  0  0  0  0
    0.3571    0.6315   -0.4185 H   0  0  0  0  0
    0.7352    0.5068    1.3541 H   0  0  0  0  0
    2.7569    4.7917    0.2640 H   0  0  0  0  0
    5.1246    4.6041   -0.3335 H   0  0  0  0  0
    4.7299    0.3195   -0.5237 H   0  0  0  0  0
    6.8528    3.2041   -1.4420 H   0  0  0  0  0
    6.6921    1.4610   -1.5107 H   0  0  0  0  0
    7.1714    1.3095    0.9668 H   0  0  0  0  0
    7.3193    3.0665    1.0411 H   0  0  0  0  0
    9.0061    1.2620   -0.5503 H   0  0  0  0  0
    9.4230    1.9806    0.8503 H   0  0  0  0  0
    0.8671    3.7591    0.6092 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
M  END

>  <Chemical Name>
4-(2-Aminoethyl)-2-methoxyphenol

>  <PubChem CID>
1669

>  <Formula>
C9H13NO2

>  <Molecular Weight>
167.208000

>  <IUPAC Name>
4-(2-aminoethyl)-2-methoxyphenol

>  <XlogP>
0.200

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=CC(=C1)CCN)O

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)CCN)O

>  <InChI Std. ID>
InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3

>  <InChI Key>
DIVQKHQLANKJQO-UHFFFAOYSA-N

