25904
  -OEChem-05072419342D

 49 50  0     0  0  0  0  0  0999 V2000
    8.5000    2.7320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6340   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4219   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -1.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766   -1.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4219   -2.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   -2.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766   -2.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015   -3.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8985   -3.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -0.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077   -0.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    2.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    2.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -0.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -0.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  2  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 19  2  0  0  0  0
 15 38  1  0  0  0  0
 16 19  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25904

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
279

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABAAAAHgIAAAAADEbhmCYyAIMABACAAiBCAAACAAAgBQAIiAAICogKJiKBMxiDMAAkwAGYqAeAwOAOhAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[1-(4-chlorophenyl)cyclohexoxy]-N,N-diethyl-ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[1-(4-chlorophenyl)cyclohexyl]oxy-<I>N</I>,<I>N</I>-diethylethanamine

> <PUBCHEM_IUPAC_NAME>
2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethyl-ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[1-(4-chlorophenyl)cyclohexoxy]ethyl-diethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FFCARBNHUSWRGK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
309.1859422

> <PUBCHEM_MOLECULAR_FORMULA>
C18H28ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
309.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCOC1(CCCCC1)C2=CC=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCOC1(CCCCC1)C2=CC=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.1859422

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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
10  13  8
12  15  8
13  16  8
15  19  8
16  19  8

$$$$