26762
  -OEChem-05062403012D

 36 37  0     1  0  0  0  0  0999 V2000
    3.7891    2.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7306    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -1.3064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -0.2325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    0.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    2.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    4.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    4.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
26762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
213

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAAAAAADCzhmAYyBIMABECIAqhSgACCCAAkIAAIiAGODMgOJjKEtTuHOSjkwBGYqYeYkYIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-furylmethyl)-N-methyl-1-phenyl-propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-furanylmethyl)-N-methyl-1-phenyl-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(furan-2-ylmethyl)-<I>N</I>-methyl-1-phenylpropan-2-amine

> <PUBCHEM_IUPAC_NAME>
N-(furan-2-ylmethyl)-N-methyl-1-phenylpropan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(furan-2-ylmethyl)-N-methyl-1-phenyl-propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-furfuryl-methyl-(1-methyl-2-phenyl-ethyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DLGIIZAHQPTVCJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
229.146664230

> <PUBCHEM_MOLECULAR_FORMULA>
C15H19NO

> <PUBCHEM_MOLECULAR_WEIGHT>
229.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2

> <PUBCHEM_CACTVS_TPSA>
16.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
229.146664230

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
1  17  8
1  9  8
10  13  8
11  14  8
12  16  8
13  15  8
14  15  8
16  17  8
3  6  3
7  10  8
7  11  8
9  12  8

$$$$