
 butenafine

 51 53  0  0  0  0  0  0  0  0999 V2000
    4.0778   -1.3322   -0.7140 C   0  0  0  0  0
    3.2382   -0.5860    0.3422 C   0  0  0  0  0
    1.7566   -0.9895    0.1608 C   0  0  0  0  0
    3.6578   -1.0788    1.7462 C   0  0  0  0  0
    3.4760    0.9233    0.1545 C   0  0  0  0  0
    2.6469    1.7031   -0.6707 C   0  0  0  0  0
    2.9122    3.0577   -0.9051 C   0  0  0  0  0
    4.0282    3.6760   -0.3343 C   0  0  0  0  0
    4.8590    2.9165    0.4938 C   0  0  0  0  0
    4.5870    1.5639    0.7328 C   0  0  0  0  0
    4.3706    5.1144   -0.6583 C   0  0  0  0  0
    5.5015    5.2405   -1.5972 N   0  0  0  0  0
    5.1453    4.7322   -2.9277 C   0  0  0  0  0
    5.9376    6.6496   -1.6735 C   0  0  0  0  0
    7.2474    6.8289   -2.4287 C   0  0  0  0  0
    8.3908    6.2243   -1.8665 C   0  0  0  0  0
    9.6284    6.3085   -2.4905 C   0  0  0  0  0
    9.7477    6.9996   -3.6911 C   0  0  0  0  0
    8.6352    7.6150   -4.2831 C   0  0  0  0  0
    8.7920    8.2978   -5.5011 C   0  0  0  0  0
    7.7111    8.9184   -6.1219 C   0  0  0  0  0
    6.4575    8.8620   -5.5316 C   0  0  0  0  0
    6.2847    8.1831   -4.3210 C   0  0  0  0  0
    7.3614    7.5424   -3.6597 C   0  0  0  0  0
    5.1474   -1.1192   -0.6014 H   0  0  0  0  0
    3.7923   -1.0385   -1.7311 H   0  0  0  0  0
    3.9458   -2.4171   -0.6321 H   0  0  0  0  0
    1.4091   -0.8376   -0.8668 H   0  0  0  0  0
    1.1040   -0.4161    0.8292 H   0  0  0  0  0
    1.6064   -2.0530    0.3816 H   0  0  0  0  0
    4.7379   -1.0014    1.9101 H   0  0  0  0  0
    3.4015   -2.1360    1.8865 H   0  0  0  0  0
    3.1540   -0.5070    2.5342 H   0  0  0  0  0
    1.7890    1.2699   -1.1773 H   0  0  0  0  0
    2.2572    3.6157   -1.5700 H   0  0  0  0  0
    5.7456    3.3679    0.9345 H   0  0  0  0  0
    5.2877    1.0173    1.3579 H   0  0  0  0  0
    4.6219    5.5992    0.2949 H   0  0  0  0  0
    3.4834    5.6398   -1.0367 H   0  0  0  0  0
    4.8987    3.6662   -2.8937 H   0  0  0  0  0
    5.9865    4.8054   -3.6249 H   0  0  0  0  0
    4.2942    5.2716   -3.3591 H   0  0  0  0  0
    6.1224    7.0298   -0.6588 H   0  0  0  0  0
    5.1342    7.2771   -2.0695 H   0  0  0  0  0
    8.3018    5.6634   -0.9374 H   0  0  0  0  0
   10.4962    5.8278   -2.0470 H   0  0  0  0  0
   10.7240    7.0481   -4.1682 H   0  0  0  0  0
    9.7671    8.3491   -5.9809 H   0  0  0  0  0
    7.8503    9.4414   -7.0643 H   0  0  0  0  0
    5.6082    9.3430   -6.0101 H   0  0  0  0  0
    5.2808    8.1649   -3.9094 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
M  END

>  <Chemical Name>
butenafine

>  <PubChem CID>
2484

>  <Formula>
C23H27N

>  <Molecular Weight>
317.476000

>  <IUPAC Name>
1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine

>  <XlogP>
6.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32

>  <Isomeric SMILES>
CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3

>  <InChI Key>
ABJKWBDEJIDSJZ-UHFFFAOYSA-N

