
 CHEMBL68670

 49 51  0  0  0  0  0  0  0  0999 V2000
   10.3610   -9.4566   -1.2229 C   0  0  0  0  0
    9.8760   -8.2096   -1.9006 C   0  0  0  0  0
   10.2800   -7.9246   -3.2110 C   0  0  0  0  0
    9.8258   -6.7744   -3.8686 C   0  0  0  0  0
    8.9769   -5.8901   -3.1912 C   0  0  0  0  0
    8.5588   -6.1577   -1.8801 C   0  0  0  0  0
    9.0119   -7.3244   -1.2460 C   0  0  0  0  0
    7.6539   -5.2011   -1.1477 C   0  0  0  0  0
    6.4463   -5.8771   -0.8067 O   0  0  0  0  0
    5.5574   -5.0301   -0.0715 C   0  0  0  0  0
    4.2840   -5.8149    0.3118 C   0  0  0  0  0
    3.5607   -6.3210   -0.9598 C   0  0  0  0  0
    2.2433   -7.0218   -0.7039 C   0  0  0  0  0
    1.1810   -6.3584   -0.0720 C   0  0  0  0  0
   -0.0462   -7.0034    0.1638 C   0  0  0  0  0
   -1.1082   -6.3476    0.8072 C   0  0  0  0  0
   -2.3204   -7.0022    1.0328 C   0  0  0  0  0
   -2.4877   -8.3191    0.6165 C   0  0  0  0  0
   -1.4421   -8.9857   -0.0246 C   0  0  0  0  0
   -0.2159   -8.3418   -0.2565 C   0  0  0  0  0
    0.8450   -8.9978   -0.8977 C   0  0  0  0  0
    2.0599   -8.3451   -1.1193 C   0  0  0  0  0
    4.6495   -6.9238    1.2177 N   0  0  0  0  0
   10.2928   -6.4691   -5.2611 C   0  0  0  0  0
   10.0177   -9.5095   -0.1843 H   0  0  0  0  0
   11.4554   -9.4804   -1.2133 H   0  0  0  0  0
    9.9860  -10.3408   -1.7486 H   0  0  0  0  0
   10.9530   -8.6083   -3.7250 H   0  0  0  0  0
    8.6346   -4.9871   -3.6925 H   0  0  0  0  0
    8.6810   -7.5377   -0.2310 H   0  0  0  0  0
    7.4181   -4.3331   -1.7745 H   0  0  0  0  0
    8.1613   -4.8475   -0.2420 H   0  0  0  0  0
    5.2877   -4.1658   -0.6895 H   0  0  0  0  0
    6.0604   -4.6667    0.8333 H   0  0  0  0  0
    3.6261   -5.1381    0.8687 H   0  0  0  0  0
    4.2246   -6.9922   -1.5202 H   0  0  0  0  0
    3.3600   -5.4727   -1.6276 H   0  0  0  0  0
    1.3068   -5.3244    0.2428 H   0  0  0  0  0
   -0.9968   -5.3187    1.1408 H   0  0  0  0  0
   -3.1327   -6.4823    1.5338 H   0  0  0  0  0
   -3.4313   -8.8302    0.7905 H   0  0  0  0  0
   -1.5911  -10.0150   -0.3431 H   0  0  0  0  0
    0.7332  -10.0266   -1.2325 H   0  0  0  0  0
    2.8624   -8.8816   -1.6215 H   0  0  0  0  0
    5.3637   -7.4821    0.7427 H   0  0  0  0  0
    3.8436   -7.5411    1.3294 H   0  0  0  0  0
    9.5932   -5.8012   -5.7748 H   0  0  0  0  0
   10.3621   -7.3862   -5.8557 H   0  0  0  0  0
   11.2760   -5.9894   -5.2293 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
 10 34  1  0  0  0
 11 23  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 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
 14 38  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL68670

>  <PubChem CID>
19003143

>  <Formula>
C22H25NO

>  <Molecular Weight>
319.448000

>  <IUPAC Name>
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)COCC(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

>  <InChI Key>
AMYNKJAEPXTVQR-UHFFFAOYSA-N

