
 CHEMBL124918

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.9210    0.1531    0.1327 C   0  0  0  0  0
    2.4709    0.2347    0.0390 C   0  0  0  0  0
    3.0514   -1.2113   -0.0315 C   0  0  0  0  0
    2.9600   -1.9481    1.3149 C   0  0  0  0  0
    3.8264   -1.1903    2.3412 C   0  0  0  0  0
    3.5333    0.2913    2.3899 C   0  0  0  0  0
    3.9349    1.0079    3.5310 C   0  0  0  0  0
    3.7094    2.3791    3.6318 C   0  0  0  0  0
    3.0799    3.0531    2.5930 C   0  0  0  0  0
    2.6866    2.3570    1.4499 C   0  0  0  0  0
    2.9246    0.9728    1.3164 C   0  0  0  0  0
    3.2952   -3.3930    1.2787 N   0  0  0  0  0
    2.2648   -4.1753    0.5929 C   0  0  0  0  0
    4.6108   -3.7073    0.7245 C   0  0  0  0  0
    2.9396    0.9330   -1.2652 C   0  0  0  0  0
    4.2249    1.5061   -1.3439 C   0  0  0  0  0
    4.6785    2.1196   -2.5141 C   0  0  0  0  0
    3.8653    2.1550   -3.6420 C   0  0  0  0  0
    2.6028    1.5730   -3.5992 C   0  0  0  0  0
    2.1453    0.9651   -2.4260 C   0  0  0  0  0
    0.5856   -0.2011    1.1144 H   0  0  0  0  0
    0.5012   -0.5336   -0.6109 H   0  0  0  0  0
    0.4550    1.1337   -0.0237 H   0  0  0  0  0
    2.5308   -1.7688   -0.8200 H   0  0  0  0  0
    4.1067   -1.1735   -0.3372 H   0  0  0  0  0
    1.9273   -1.8834    1.6817 H   0  0  0  0  0
    4.8932   -1.2929    2.1107 H   0  0  0  0  0
    3.6589   -1.6274    3.3344 H   0  0  0  0  0
    4.4275    0.4921    4.3532 H   0  0  0  0  0
    4.0234    2.9180    4.5212 H   0  0  0  0  0
    2.8969    4.1215    2.6676 H   0  0  0  0  0
    2.1983    2.9085    0.6478 H   0  0  0  0  0
    1.2738   -3.9796    1.0188 H   0  0  0  0  0
    2.4501   -5.2480    0.7245 H   0  0  0  0  0
    2.2253   -3.9709   -0.4828 H   0  0  0  0  0
    5.4138   -3.2190    1.2846 H   0  0  0  0  0
    4.7018   -3.4303   -0.3316 H   0  0  0  0  0
    4.8068   -4.7836    0.8038 H   0  0  0  0  0
    4.8917    1.4838   -0.4830 H   0  0  0  0  0
    5.6690    2.5660   -2.5422 H   0  0  0  0  0
    4.2180    2.6288   -4.5538 H   0  0  0  0  0
    1.9700    1.5869   -4.4832 H   0  0  0  0  0
    1.1587    0.5117   -2.4481 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>
CHEMBL124918

>  <PubChem CID>
9993045

>  <Formula>
C19H23N

>  <Molecular Weight>
265.400000

>  <IUPAC Name>
(2R,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-/m1/s1

>  <InChI Key>
CXLAYHSKSLEWPR-IEBWSBKVSA-N

