200475
  -OEChem-05241307512D

 37 38  0     1  0  0  0  0  0999 V2000
    4.5981    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2 31  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 24  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 18  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
200475

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
245

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgAACAAADBThmAYyBsMABgCAAiBCAAACCAAgIAAIiAAOCIgPNiKEMRqGOCCmwBEbqAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(dimethylamino)-3-(1-naphthyloxy)propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-(dimethylamino)-3-(1-naphthalenyloxy)-2-propanol

> <PUBCHEM_IUPAC_NAME>
1-(dimethylamino)-3-naphthalen-1-yloxypropan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(dimethylamino)-3-naphthalen-1-yloxy-propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(dimethylamino)-3-(1-naphthoxy)propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H19NO2/c1-16(2)10-13(17)11-18-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,10-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
NRIDRINPRIUAKP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.6

> <PUBCHEM_EXACT_MASS>
245.141579

> <PUBCHEM_MOLECULAR_FORMULA>
C15H19NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
245.31686

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CC(COC1=CC=CC2=CC=CC=C21)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CC(COC1=CC=CC2=CC=CC=C21)O

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
245.141579

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
12  16  8
13  17  8
14  16  8
15  18  8
17  18  8
4  2  3
7  12  8
7  8  8
8  13  8
8  9  8
9  14  8
9  15  8

$$$$