
 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.5131   -0.0810    0.8078 C   0  0  0  0  0
    2.9645   -0.2499    0.3593 C   0  0  0  0  0
    3.1038   -0.7624   -1.0926 C   0  0  0  0  0
    2.5204   -2.1419   -1.3259 C   0  0  0  0  0
    3.3048   -3.2780   -1.0415 C   0  0  0  0  0
    2.7986   -4.5710   -1.2197 C   0  0  0  0  0
    1.4895   -4.7146   -1.6997 C   0  0  0  0  0
    0.6985   -3.5952   -1.9868 C   0  0  0  0  0
    1.2052   -2.3101   -1.7872 C   0  0  0  0  0
    0.4978   -1.1669   -2.0551 O   0  0  0  0  0
   -0.9158   -1.2582   -1.9086 C   0  0  0  0  0
    0.6289   -6.6066   -2.0297 I   0  0  0  0  0
    3.4936   -5.7193   -0.9477 O   0  0  0  0  0
    4.8440   -5.6009   -0.5212 C   0  0  0  0  0
    3.6355    1.0507    0.5062 N   0  0  0  0  0
    1.4597    0.3641    1.8074 H   0  0  0  0  0
    1.0017   -1.0477    0.8650 H   0  0  0  0  0
    0.9507    0.5659    0.1237 H   0  0  0  0  0
    3.4533   -0.9548    1.0407 H   0  0  0  0  0
    4.1707   -0.7990   -1.3596 H   0  0  0  0  0
    2.6664   -0.0423   -1.7975 H   0  0  0  0  0
    4.3149   -3.1205   -0.6774 H   0  0  0  0  0
   -0.3023   -3.7395   -2.3778 H   0  0  0  0  0
   -1.1925   -1.7292   -0.9587 H   0  0  0  0  0
   -1.3623   -1.7857   -2.7558 H   0  0  0  0  0
   -1.3151   -0.2389   -1.9037 H   0  0  0  0  0
    5.2093   -6.6059   -0.2925 H   0  0  0  0  0
    4.9267   -5.0062    0.3927 H   0  0  0  0  0
    5.4688   -5.1897   -1.3214 H   0  0  0  0  0
    3.1836    1.7361   -0.0985 H   0  0  0  0  0
    4.5990    0.9820    0.1845 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 15  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 13 14  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

>  <PubChem CID>
1229

>  <Formula>
C11H16INO2

>  <Molecular Weight>
321.158000

>  <IUPAC Name>
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC1=CC(=C(C=C1OC)I)OC)N

>  <Isomeric SMILES>
CC(CC1=CC(=C(C=C1OC)I)OC)N

>  <InChI Std. ID>
InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3

>  <InChI Key>
BGMZUEKZENQUJY-UHFFFAOYSA-N

