Chem 34 Dimethoxy Aniline Aminoveratrol Sajjan

Compound 44
  CheckMol                        TMF02:r0:m0
MF=C16H22N2O4 MW=306.36
 22 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4919   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2906    0.7578   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -2.2260   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2788   -2.2378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2788    2.2733   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -1.4564   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380   -3.7179   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2669   -3.7297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9547   -2.1905   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4638   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8836   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -1.2906   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.6296    1.3143   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1096   -1.2788   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8481   -2.5812   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.8556    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8437   -2.5694   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5822   -3.8718   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.0978    1.3498   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0859   -3.8599   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8126   -5.1624   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15 02  0  1  0  0
 13 16 01  0  1  0  0
 15 17  1  0  0  0  0
 15 18 01  0  1  0  0
 16 19 02  0  1  0  0
 17 20  1  0  0  0  0
 18 21 02  0  1  0  0
 19 22  1  0  0  0  0
  9 11 01  0  1  0  0
 19 21 01  0  1  0  0
M  END

3,4-Dimethoxy Aniline (Aminoveratrol)

₹ 0.00 0.00

Chemical Name - 3,4-Dimethoxy Aniline (Aminoveratrol)
Mol Weight - 153.18
Smiles - COc(cccc1)c1OCN.COc(ccc(N)c1)c1OC

Property Name	Property Value
Mol Name	3,4-Dimethoxy Aniline (Aminoveratrol)
Molweight	153.18
Monoisotopic Mass	153.078979
Clogp	0.6208
Clogs	-2.05
H Acceptors	3
H Donors	1
Total Surface Area	127.8
Relative Psa	0.27598
Polar Surface Area	44.48
Druglikeness	-1.7066
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.48063
Molecular Complexity	0.64378
Fragments	2
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Basic Nitrogens	1
Smiles	COc(cccc1)c1OCN.COc(ccc(N)c1)c1OC
InChIKey	InChI=1S/2C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2;1-10-7-4-2-3-5-8(7)11-6-9/h3-5H,9H2,1-2H3;2-5H,6,9H2,1H3
InChI	XULACHSYYPPAPM-UHFFFAOYSA-N

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1 - 3,4-Dimethoxy Aniline (Aminoveratrol)
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3,4-Dimethoxy Aniline (Aminoveratrol)