
 CHEMBL120589

 49 51  0  0  0  0  0  0  0  0999 V2000
    9.2568   -5.1622    6.1293 C   0  0  0  0  0
    8.4425   -5.7561    5.0178 C   0  0  0  0  0
    8.1256   -7.1199    5.0304 C   0  0  0  0  0
    7.3405   -7.6826    4.0168 C   0  0  0  0  0
    6.8836   -6.8668    2.9746 C   0  0  0  0  0
    7.1627   -5.4927    2.9563 C   0  0  0  0  0
    7.9492   -4.9494    3.9843 C   0  0  0  0  0
    6.6996   -4.6136    1.8209 C   0  0  0  0  0
    5.4397   -5.0634    1.3209 O   0  0  0  0  0
    4.9923   -4.2512    0.2313 C   0  0  0  0  0
    3.6488   -4.7900   -0.3079 C   0  0  0  0  0
    3.7669   -6.2181   -0.8847 C   0  0  0  0  0
    4.7215   -6.3370   -2.0519 C   0  0  0  0  0
    5.8760   -7.1262   -1.9406 C   0  0  0  0  0
    6.7772   -7.2551   -3.0109 C   0  0  0  0  0
    7.9291   -8.0517   -2.9063 C   0  0  0  0  0
    8.8149   -8.1706   -3.9783 C   0  0  0  0  0
    8.5624   -7.4927   -5.1672 C   0  0  0  0  0
    7.4216   -6.6975   -5.2877 C   0  0  0  0  0
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    5.3609   -5.7848   -4.3267 C   0  0  0  0  0
    4.4689   -5.6741   -3.2572 C   0  0  0  0  0
    2.6355   -4.8015    0.7712 N   0  0  0  0  0
    7.0420   -9.1525    4.0123 C   0  0  0  0  0
    9.7305   -4.2259    5.8161 H   0  0  0  0  0
   10.0573   -5.8465    6.4296 H   0  0  0  0  0
    8.6177   -4.9589    6.9940 H   0  0  0  0  0
    8.4954   -7.7504    5.8367 H   0  0  0  0  0
    6.2928   -7.3023    2.1700 H   0  0  0  0  0
    8.1846   -3.8868    3.9772 H   0  0  0  0  0
    7.4500   -4.6448    1.0224 H   0  0  0  0  0
    6.5876   -3.5810    2.1722 H   0  0  0  0  0
    5.7504   -4.2388   -0.5597 H   0  0  0  0  0
    4.8577   -3.2221    0.5872 H   0  0  0  0  0
    3.2932   -4.1083   -1.0892 H   0  0  0  0  0
    2.7808   -6.5598   -1.2288 H   0  0  0  0  0
    4.0617   -6.9197   -0.0928 H   0  0  0  0  0
    6.0752   -7.6497   -1.0067 H   0  0  0  0  0
    8.1423   -8.5904   -1.9856 H   0  0  0  0  0
    9.7002   -8.7937   -3.8841 H   0  0  0  0  0
    9.2512   -7.5842   -6.0028 H   0  0  0  0  0
    7.2395   -6.1777   -6.2256 H   0  0  0  0  0
    5.1405   -5.2565   -5.2516 H   0  0  0  0  0
    3.5726   -5.0697   -3.3768 H   0  0  0  0  0
    2.5638   -3.8655    1.1691 H   0  0  0  0  0
    3.0230   -5.3679    1.5336 H   0  0  0  0  0
    6.0621   -9.3493    3.5645 H   0  0  0  0  0
    7.0181   -9.5508    5.0320 H   0  0  0  0  0
    7.8069   -9.6877    3.4415 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
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 11 23  1  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
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 17 18  2  0  0  0
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 24 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL120589

>  <PubChem CID>
44346550

>  <Formula>
C22H25NO

>  <Molecular Weight>
319.448000

>  <IUPAC Name>
(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=CC(=C1)COCC(CC2=CC3=CC=CC=C3C=C2)N)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)COC[C@H](CC2=CC3=CC=CC=C3C=C2)N)C

>  <InChI Std. ID>
InChI=1S/C22H25NO/c1-16-9-17(2)11-19(10-16)14-24-15-22(23)13-18-7-8-20-5-3-4-6-21(20)12-18/h3-12,22H,13-15,23H2,1-2H3/t22-/m0/s1

>  <InChI Key>
AMYNKJAEPXTVQR-QFIPXVFZSA-N

