25223
  -OEChem-04192419072D

 26 26  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    2.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611    0.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081   -0.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25223

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
145

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAADIqBGCAyAIBAAACAAiBCAAACAAAgBQAIiAAAAogIICKBkxGAIAAgkAAIiAcQgMAOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-chlorophenyl)-2-methyl-propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-chlorophenyl)-2-methyl-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-chlorophenyl)-2-methylpropan-2-amine

> <PUBCHEM_IUPAC_NAME>
1-(2-chlorophenyl)-2-methylpropan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-chlorophenyl)-2-methyl-propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(2-chlorophenyl)-1,1-dimethyl-ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HXCXASJHZQXCKK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
183.0814771

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14ClN

> <PUBCHEM_MOLECULAR_WEIGHT>
183.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(CC1=CC=CC=C1Cl)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(CC1=CC=CC=C1Cl)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
183.0814771

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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
11  12  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$