
 phenylpropanolamine

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.8465   -0.2552    2.0604 C   0  0  0  0  0
    3.0346    0.4985    0.7416 C   0  0  0  0  0
    3.5749   -0.3974   -0.4144 C   0  0  0  0  0
    4.9858   -0.9096   -0.1993 C   0  0  0  0  0
    6.0776   -0.1491   -0.6470 C   0  0  0  0  0
    7.3853   -0.5999   -0.4587 C   0  0  0  0  0
    7.6197   -1.8133    0.1847 C   0  0  0  0  0
    6.5469   -2.5752    0.6431 C   0  0  0  0  0
    5.2386   -2.1260    0.4541 C   0  0  0  0  0
    2.6644   -1.4736   -0.6758 O   0  0  0  0  0
    1.7189    1.0761    0.3843 N   0  0  0  0  0
    2.4202    0.4024    2.8271 H   0  0  0  0  0
    3.8030   -0.6164    2.4497 H   0  0  0  0  0
    2.1764   -1.1148    1.9487 H   0  0  0  0  0
    3.7303    1.3287    0.9122 H   0  0  0  0  0
    3.5800    0.2002   -1.3356 H   0  0  0  0  0
    5.9176    0.8034   -1.1489 H   0  0  0  0  0
    8.2224   -0.0031   -0.8122 H   0  0  0  0  0
    8.6377   -2.1628    0.3328 H   0  0  0  0  0
    6.7292   -3.5179    1.1524 H   0  0  0  0  0
    4.4143   -2.7295    0.8309 H   0  0  0  0  0
    3.1416   -2.1113   -1.2347 H   0  0  0  0  0
    1.1005    0.2885    0.1664 H   0  0  0  0  0
    1.8050    1.5853   -0.4941 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
M  END

>  <Chemical Name>
phenylpropanolamine

>  <PubChem CID>
4786

>  <Formula>
C9H13NO

>  <Molecular Weight>
151.209000

>  <IUPAC Name>
2-amino-1-phenylpropan-1-ol

>  <XlogP>
0.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3

>  <InChI Key>
DLNKOYKMWOXYQA-UHFFFAOYSA-N

