
 5-Meo-dpac

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.2078    0.6902   -3.1631 C   0  0  0  0  0
    4.1953    1.1030   -2.0781 C   0  0  0  0  0
    3.4792    1.2998   -0.7335 C   0  0  0  0  0
    4.3482    1.7418    0.3828 N   0  0  0  0  0
    3.5866    1.7556    1.6547 C   0  0  0  0  0
    3.1930    0.3669    2.1784 C   0  0  0  0  0
    2.5138    0.4815    3.5377 C   0  0  0  0  0
    5.0014    3.0634    0.1049 C   0  0  0  0  0
    4.0217    4.2091   -0.2197 C   0  0  0  0  0
    4.5917    5.5863    0.0030 C   0  0  0  0  0
    5.8911    5.7496    0.4895 C   0  0  0  0  0
    6.4188    7.0231    0.6919 C   0  0  0  0  0
    5.6295    8.1449    0.4481 C   0  0  0  0  0
    4.3226    7.9970   -0.0197 C   0  0  0  0  0
    3.7978    6.7222   -0.2523 C   0  0  0  0  0
    2.5343    6.4654   -0.7170 O   0  0  0  0  0
    1.6807    7.5775   -0.9499 C   0  0  0  0  0
    6.7178    4.6965    0.7788 O   0  0  0  0  0
    5.9867    3.5338    1.1950 C   0  0  0  0  0
    3.7321    0.5180   -4.1077 H   0  0  0  0  0
    2.4644    1.4769   -3.3281 H   0  0  0  0  0
    2.6808   -0.2290   -2.8914 H   0  0  0  0  0
    4.6870    2.0209   -2.4133 H   0  0  0  0  0
    4.9682    0.3322   -1.9768 H   0  0  0  0  0
    3.0421    0.3267   -0.4856 H   0  0  0  0  0
    2.6355    1.9894   -0.8617 H   0  0  0  0  0
    2.6838    2.3716    1.5640 H   0  0  0  0  0
    4.1944    2.2032    2.4455 H   0  0  0  0  0
    4.0835   -0.2650    2.2710 H   0  0  0  0  0
    2.4996   -0.1336    1.4958 H   0  0  0  0  0
    3.1816    0.9414    4.2750 H   0  0  0  0  0
    2.2306   -0.5091    3.9079 H   0  0  0  0  0
    1.6070    1.0916    3.4716 H   0  0  0  0  0
    5.6410    2.9338   -0.7775 H   0  0  0  0  0
    3.1257    4.1339    0.4040 H   0  0  0  0  0
    3.7043    4.1207   -1.2677 H   0  0  0  0  0
    7.4334    7.1378    1.0599 H   0  0  0  0  0
    6.0338    9.1389    0.6262 H   0  0  0  0  0
    3.7407    8.8951   -0.1934 H   0  0  0  0  0
    0.7244    7.1909   -1.3179 H   0  0  0  0  0
    2.0898    8.2375   -1.7200 H   0  0  0  0  0
    1.4836    8.1234   -0.0207 H   0  0  0  0  0
    6.7257    2.7482    1.3919 H   0  0  0  0  0
    5.4980    3.7672    2.1489 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
M  END

>  <Chemical Name>
5-Meo-dpac

>  <PubChem CID>
3082597

>  <Formula>
C16H25NO2

>  <Molecular Weight>
263.381000

>  <IUPAC Name>
5-methoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1CC2=C(C=CC=C2OC)OC1

>  <Isomeric SMILES>
CCCN(CCC)C1CC2=C(C=CC=C2OC)OC1

>  <InChI Std. ID>
InChI=1S/C16H25NO2/c1-4-9-17(10-5-2)13-11-14-15(18-3)7-6-8-16(14)19-12-13/h6-8,13H,4-5,9-12H2,1-3H3

>  <InChI Key>
GOWYIQOIWRLZLO-UHFFFAOYSA-N

