
 7695-63-8

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.2727   -0.4387    1.2551 C   0  0  0  0  0
    2.6432   -0.4963    0.5771 C   0  0  0  0  0
    2.5837   -1.4415   -0.6250 C   0  0  0  0  0
    3.0165    0.8741    0.2005 N   0  0  0  0  0
    4.4143    0.9856   -0.2309 C   0  0  0  0  0
    4.8312    2.4450   -0.5032 C   0  0  0  0  0
    4.8586    3.3247    0.7550 C   0  0  0  0  0
    5.8476    2.8060    1.6550 O   0  0  0  0  0
    6.0522    3.4997    2.8161 C   0  0  0  0  0
    6.9965    2.9334    3.6770 C   0  0  0  0  0
    7.3099    3.5445    4.8921 C   0  0  0  0  0
    6.6787    4.7320    5.2543 C   0  0  0  0  0
    5.7346    5.3023    4.4024 C   0  0  0  0  0
    5.4199    4.6879    3.1861 C   0  0  0  0  0
    6.1348    2.4470   -1.1062 O   0  0  0  0  0
    1.2994    0.2042    2.1421 H   0  0  0  0  0
    0.9602   -1.4371    1.5811 H   0  0  0  0  0
    0.5026   -0.0514    0.5779 H   0  0  0  0  0
    3.3590   -0.8879    1.3102 H   0  0  0  0  0
    1.9273   -1.0503   -1.4105 H   0  0  0  0  0
    2.1994   -2.4231   -0.3272 H   0  0  0  0  0
    3.5753   -1.6020   -1.0597 H   0  0  0  0  0
    2.4026    1.1988   -0.5471 H   0  0  0  0  0
    4.5740    0.4147   -1.1535 H   0  0  0  0  0
    5.0864    0.5496    0.5187 H   0  0  0  0  0
    4.1457    2.8870   -1.2354 H   0  0  0  0  0
    3.8736    3.3412    1.2349 H   0  0  0  0  0
    5.1498    4.3387    0.4545 H   0  0  0  0  0
    7.4919    2.0064    3.3991 H   0  0  0  0  0
    8.0454    3.0942    5.5528 H   0  0  0  0  0
    6.9209    5.2123    6.1986 H   0  0  0  0  0
    5.2410    6.2294    4.6836 H   0  0  0  0  0
    4.6799    5.1650    2.5529 H   0  0  0  0  0
    6.7660    2.2987   -0.3752 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  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 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
M  END

>  <Chemical Name>
7695-63-8

>  <PubChem CID>
3123920

>  <Formula>
C12H19NO2

>  <Molecular Weight>
209.289000

>  <IUPAC Name>
1-phenoxy-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3

>  <InChI Key>
ONXLHKFGTDDVLQ-UHFFFAOYSA-N

