12924821
  -OEChem-05092412232D

 32 33  0     1  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285   -1.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1429    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7411    1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214   -1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0196   -1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0196    1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214    1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3938   -1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12924821

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
210

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAHgAQAAAADCzBmAYyBoBABACAAiBCAAACCAAgIAAIiIAGCIgMJiKEsBuAMCAk0BEIqAfw0LEOgQABAAAYAAASAAKAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,8-dimethoxytetralin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

> <PUBCHEM_IUPAC_NAME>
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5,8-dimethoxytetralin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17NO2/c1-14-11-5-6-12(15-2)10-7-8(13)3-4-9(10)11/h5-6,8H,3-4,7,13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZBZBZZQOTZTHIC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
207.125928785

> <PUBCHEM_MOLECULAR_FORMULA>
C12H17NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
207.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C2CCC(CC2=C(C=C1)OC)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C2CCC(CC2=C(C=C1)OC)N

> <PUBCHEM_CACTVS_TPSA>
44.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
207.125928785

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
4  3  3
8  10  8
8  9  8
9  11  8

$$$$