
 2-(tert-Butylamino)-1-phenylethanol

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.2202    0.1322   -0.2463 C   0  0  0  0  0
    2.1249    1.3189    0.7259 C   0  0  0  0  0
    0.6644    1.8116    0.7485 C   0  0  0  0  0
    2.5058    0.8665    2.1465 C   0  0  0  0  0
    2.9373    2.4688    0.2773 N   0  0  0  0  0
    4.3888    2.2152    0.1579 C   0  0  0  0  0
    5.1076    3.5116   -0.3040 C   0  0  0  0  0
    6.5989    3.3168   -0.4984 C   0  0  0  0  0
    7.2147    3.4887   -1.7464 C   0  0  0  0  0
    8.5927    3.3140   -1.8964 C   0  0  0  0  0
    9.3766    2.9633   -0.7992 C   0  0  0  0  0
    8.7845    2.7945    0.4485 C   0  0  0  0  0
    7.4078    2.9753    0.5999 C   0  0  0  0  0
    4.4716    3.9716   -1.5038 O   0  0  0  0  0
    3.2153   -0.3248   -0.2407 H   0  0  0  0  0
    1.9942    0.4403   -1.2737 H   0  0  0  0  0
    1.5061   -0.6535    0.0257 H   0  0  0  0  0
    0.3410    2.1498   -0.2429 H   0  0  0  0  0
    0.5330    2.6467    1.4465 H   0  0  0  0  0
   -0.0172    1.0127    1.0622 H   0  0  0  0  0
    3.5001    0.4092    2.1782 H   0  0  0  0  0
    1.7970    0.1197    2.5221 H   0  0  0  0  0
    2.4983    1.7080    2.8482 H   0  0  0  0  0
    2.7945    3.2428    0.9298 H   0  0  0  0  0
    4.5643    1.4375   -0.5939 H   0  0  0  0  0
    4.8073    1.8800    1.1115 H   0  0  0  0  0
    4.9631    4.3020    0.4428 H   0  0  0  0  0
    6.6223    3.7682   -2.6159 H   0  0  0  0  0
    9.0524    3.4558   -2.8709 H   0  0  0  0  0
   10.4485    2.8280   -0.9181 H   0  0  0  0  0
    9.3947    2.5268    1.3073 H   0  0  0  0  0
    6.9717    2.8515    1.5890 H   0  0  0  0  0
    3.5412    3.6812   -1.4123 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
M  END

>  <Chemical Name>
2-(tert-Butylamino)-1-phenylethanol

>  <PubChem CID>
533905

>  <Formula>
C12H19NO

>  <Molecular Weight>
193.290000

>  <IUPAC Name>
2-(tert-butylamino)-1-phenylethanol

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3

>  <InChI Key>
NRVOOKOHYKJCPB-UHFFFAOYSA-N

