
 23869-98-9

 44 45  0  0  0  0  0  0  0  0999 V2000
    1.1923    5.1762   -5.3331 C   0  0  0  0  0
    2.4864    4.5401   -4.9887 C   0  0  0  0  0
    3.0611    4.2537   -3.7673 C   0  0  0  0  0
    4.3223    3.6293   -4.0006 C   0  0  0  0  0
    4.4799    3.5535   -5.3848 C   0  0  0  0  0
    3.3584    4.1099   -5.9570 N   0  0  0  0  0
    5.6072    2.9888   -5.9889 C   0  0  0  0  0
    6.5958    2.4789   -5.1474 C   0  0  0  0  0
    6.4652    2.5396   -3.7586 C   0  0  0  0  0
    5.3407    3.1253   -3.1562 C   0  0  0  0  0
    5.1364    3.1975   -1.8019 O   0  0  0  0  0
    6.2913    3.3246   -0.9698 C   0  0  0  0  0
    6.8241    4.7611   -0.9349 C   0  0  0  0  0
    5.8512    5.7048   -0.1935 C   0  0  0  0  0
    6.4992    7.0200   -0.0145 N   0  0  0  0  0
    5.7827    7.9662    0.8669 C   0  0  0  0  0
    4.3765    8.2947    0.3397 C   0  0  0  0  0
    5.6940    7.4431    2.3114 C   0  0  0  0  0
    6.6169    9.2625    0.8792 C   0  0  0  0  0
    8.0893    4.7816   -0.2551 O   0  0  0  0  0
    0.6158    5.4078   -4.4317 H   0  0  0  0  0
    0.5900    4.5102   -5.9592 H   0  0  0  0  0
    1.3577    6.1100   -5.8801 H   0  0  0  0  0
    2.6275    4.4615   -2.7979 H   0  0  0  0  0
    3.2040    4.1810   -6.9523 H   0  0  0  0  0
    5.7093    2.9339   -7.0675 H   0  0  0  0  0
    7.4796    2.0162   -5.5809 H   0  0  0  0  0
    7.2579    2.0937   -3.1668 H   0  0  0  0  0
    7.0784    2.6050   -1.2138 H   0  0  0  0  0
    5.9797    3.0363    0.0418 H   0  0  0  0  0
    6.9920    5.1364   -1.9515 H   0  0  0  0  0
    5.6360    5.2653    0.7844 H   0  0  0  0  0
    4.9164    5.7940   -0.7547 H   0  0  0  0  0
    6.6088    7.4479   -0.9373 H   0  0  0  0  0
    4.4133    8.6556   -0.6944 H   0  0  0  0  0
    3.9059    9.0778    0.9450 H   0  0  0  0  0
    3.7145    7.4230    0.3701 H   0  0  0  0  0
    6.6778    7.1351    2.6841 H   0  0  0  0  0
    5.0152    6.5887    2.4011 H   0  0  0  0  0
    5.3167    8.2203    2.9863 H   0  0  0  0  0
    7.6314    9.0815    1.2529 H   0  0  0  0  0
    6.1591   10.0199    1.5260 H   0  0  0  0  0
    6.7013    9.6963   -0.1237 H   0  0  0  0  0
    8.1718    5.7043    0.0667 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
M  END

>  <Chemical Name>
23869-98-9

>  <PubChem CID>
152662

>  <Formula>
C16H24N2O2

>  <Molecular Weight>
276.380000

>  <IUPAC Name>
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O

>  <Isomeric SMILES>
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O

>  <InChI Std. ID>
InChI=1S/C16H24N2O2/c1-11-8-13-14(18-11)6-5-7-15(13)20-10-12(19)9-17-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3

>  <InChI Key>
BGQHPLYSXBZMQG-UHFFFAOYSA-N

