
 CHEMBL338253

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.8298    0.0300    0.4232 C   0  0  0  0  0
    2.2859    0.5255    0.2053 C   0  0  0  0  0
    3.1941   -0.6997   -0.1098 C   0  0  0  0  0
    3.4945   -1.5639    1.1267 C   0  0  0  0  0
    4.2618   -0.7019    2.1483 C   0  0  0  0  0
    3.6003    0.6284    2.4244 C   0  0  0  0  0
    3.9455    1.3065    3.6073 C   0  0  0  0  0
    3.3808    2.5420    3.9165 C   0  0  0  0  0
    2.4647    3.1193    3.0465 C   0  0  0  0  0
    2.1216    2.4637    1.8644 C   0  0  0  0  0
    2.6943    1.2201    1.5220 C   0  0  0  0  0
    4.1421   -2.8493    0.7578 N   0  0  0  0  0
    5.3905   -2.7227    0.0075 C   0  0  0  0  0
    4.3317   -3.7284    1.9123 C   0  0  0  0  0
    2.4134    1.4599   -1.0279 C   0  0  0  0  0
    1.5012    1.4236   -2.0965 C   0  0  0  0  0
    1.6656    2.2457   -3.2161 C   0  0  0  0  0
    2.7480    3.1167   -3.2952 C   0  0  0  0  0
    3.6744    3.1603   -2.2591 C   0  0  0  0  0
    3.5140    2.3354   -1.1433 C   0  0  0  0  0
    0.7187   -0.5138    1.3688 H   0  0  0  0  0
    0.5049   -0.6497   -0.3726 H   0  0  0  0  0
    0.1183    0.8646    0.4531 H   0  0  0  0  0
    2.7295   -1.3113   -0.8962 H   0  0  0  0  0
    4.1481   -0.3463   -0.5257 H   0  0  0  0  0
    2.5292   -1.8362    1.5735 H   0  0  0  0  0
    5.2792   -0.4952    1.7963 H   0  0  0  0  0
    4.3423   -1.2508    3.0944 H   0  0  0  0  0
    4.6603    0.8666    4.3001 H   0  0  0  0  0
    3.6552    3.0514    4.8361 H   0  0  0  0  0
    2.0187    4.0816    3.2825 H   0  0  0  0  0
    1.4060    2.9389    1.1950 H   0  0  0  0  0
    5.2312   -2.2233   -0.9531 H   0  0  0  0  0
    5.7875   -3.7137   -0.2415 H   0  0  0  0  0
    6.1639   -2.1830    0.5621 H   0  0  0  0  0
    3.3992   -3.8454    2.4746 H   0  0  0  0  0
    5.1073   -3.3619    2.5938 H   0  0  0  0  0
    4.6232   -4.7316    1.5815 H   0  0  0  0  0
    0.6509    0.7475   -2.0906 H   0  0  0  0  0
    0.9481    2.1988   -4.0314 H   0  0  0  0  0
    2.8744    3.7532   -4.1666 H   0  0  0  0  0
    4.5268    3.8318   -2.3174 H   0  0  0  0  0
    4.2650    2.3823   -0.3566 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 20  1  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 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL338253

>  <PubChem CID>
9993046

>  <Formula>
C19H23N

>  <Molecular Weight>
265.400000

>  <IUPAC Name>
(2S,4R)-N,N,4-trimethyl-4-phenyl-2,3-dihydro-1H-naphthalen-2-amine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1(CC(CC2=CC=CC=C21)N(C)C)C3=CC=CC=C3

>  <Isomeric SMILES>
C[C@@]1(C[C@H](CC2=CC=CC=C21)N(C)C)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H23N/c1-19(16-10-5-4-6-11-16)14-17(20(2)3)13-15-9-7-8-12-18(15)19/h4-12,17H,13-14H2,1-3H3/t17-,19+/m0/s1

>  <InChI Key>
CXLAYHSKSLEWPR-PKOBYXMFSA-N

