58341
  -OEChem-05211319282D

 42 43  0     0  0  0  0  0  0999 V2000
    5.4641    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  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 15  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58341

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
252

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgAAAAAADAThmAYyBsMABACAAiBCAAACCAAgIAAIiAAOCIgOJiKEMRqDOCCkwBGYqAeAwPAOwAADAAAYAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-diethyl-2-[(3-methyl-1-naphthyl)oxy]ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-diethyl-2-[(3-methyl-1-naphthalenyl)oxy]ethanamine

> <PUBCHEM_IUPAC_NAME>
N,N-diethyl-2-(3-methylnaphthalen-1-yl)oxyethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-diethyl-2-(3-methylnaphthalen-1-yl)oxy-ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diethyl-[2-(3-methyl-1-naphthoxy)ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H23NO/c1-4-18(5-2)10-11-19-17-13-14(3)12-15-8-6-7-9-16(15)17/h6-9,12-13H,4-5,10-11H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NITILWRQDYCYOL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
257.177964

> <PUBCHEM_MOLECULAR_FORMULA>
C17H23NO

> <PUBCHEM_MOLECULAR_WEIGHT>
257.37062

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCOC1=CC(=CC2=CC=CC=C21)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCOC1=CC(=CC2=CC=CC=C21)C

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.177964

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
12  13  8
13  14  8
15  18  8
16  19  8
18  19  8
7  12  8
7  8  8
8  15  8
8  9  8
9  14  8
9  16  8

$$$$