
 2,4,6-TRIMETHOXYAMPHETAMINE

 35 35  0  0  0  0  0  0  0  0999 V2000
    3.5113    1.2286    0.8285 C   0  0  0  0  0
    3.0483   -0.2203    0.6850 C   0  0  0  0  0
    3.0917   -0.6512   -0.7983 C   0  0  0  0  0
    2.5576   -2.0567   -1.0303 C   0  0  0  0  0
    3.4351   -3.1600   -1.0618 C   0  0  0  0  0
    2.9206   -4.4452   -1.2336 C   0  0  0  0  0
    1.5480   -4.6554   -1.3819 C   0  0  0  0  0
    0.6753   -3.5683   -1.3525 C   0  0  0  0  0
    1.1698   -2.2730   -1.1605 C   0  0  0  0  0
    0.3778   -1.1515   -1.1158 O   0  0  0  0  0
   -0.9917   -1.3439   -0.7846 C   0  0  0  0  0
    1.1928   -5.9681   -1.5454 O   0  0  0  0  0
   -0.1921   -6.2526   -1.6994 C   0  0  0  0  0
    4.7670   -2.8724   -0.8983 O   0  0  0  0  0
    5.6819   -3.9604   -0.9068 C   0  0  0  0  0
    3.8996   -1.0542    1.5488 N   0  0  0  0  0
    3.4685    1.5531    1.8747 H   0  0  0  0  0
    2.8687    1.8995    0.2483 H   0  0  0  0  0
    4.5413    1.3593    0.4765 H   0  0  0  0  0
    2.0209   -0.2907    1.0605 H   0  0  0  0  0
    4.1129   -0.5640   -1.1916 H   0  0  0  0  0
    2.5107    0.0564   -1.4051 H   0  0  0  0  0
    3.5656   -5.3173   -1.2574 H   0  0  0  0  0
   -0.3867   -3.7231   -1.4896 H   0  0  0  0  0
   -1.4313   -0.3588   -0.6028 H   0  0  0  0  0
   -1.1019   -1.9331    0.1318 H   0  0  0  0  0
   -1.5361   -1.8004   -1.6168 H   0  0  0  0  0
   -0.3018   -7.3378   -1.7911 H   0  0  0  0  0
   -0.5867   -5.7985   -2.6144 H   0  0  0  0  0
   -0.7631   -5.9346   -0.8205 H   0  0  0  0  0
    6.6893   -3.5488   -0.7886 H   0  0  0  0  0
    5.6532   -4.4969   -1.8611 H   0  0  0  0  0
    5.4972   -4.6352   -0.0641 H   0  0  0  0  0
    4.8211   -1.1315    1.1142 H   0  0  0  0  0
    3.5369   -2.0089    1.5218 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 16  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
M  END

>  <Chemical Name>
2,4,6-TRIMETHOXYAMPHETAMINE

>  <PubChem CID>
31015

>  <Formula>
C12H19NO3

>  <Molecular Weight>
225.288000

>  <IUPAC Name>
1-(2,4,6-trimethoxyphenyl)propan-2-amine

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C12H19NO3/c1-8(13)5-10-11(15-3)6-9(14-2)7-12(10)16-4/h6-8H,5,13H2,1-4H3

>  <InChI Key>
DDGNOUVDFKXADP-UHFFFAOYSA-N

