
 CHEMBL566468

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.5758   -0.9188    1.3532 C   0  0  0  0  0
    2.6506   -0.6715    0.8747 C   0  0  0  0  0
    3.9742   -0.4049    0.2810 C   0  0  0  0  0
    4.6014    0.8190    0.8020 N   0  0  0  0  0
    4.8112    0.8043    2.2654 C   0  0  0  0  0
    5.5787   -0.3637    2.8602 C   0  0  0  0  0
    6.9720   -0.4704    2.7360 C   0  0  0  0  0
    7.6587   -1.5565    3.2844 C   0  0  0  0  0
    6.9662   -2.5358    3.9917 C   0  0  0  0  0
    5.5868   -2.4311    4.1493 C   0  0  0  0  0
    4.8976   -1.3557    3.5841 C   0  0  0  0  0
    5.8458    1.1319    0.0847 C   0  0  0  0  0
    5.6639    1.5358   -1.3646 C   0  0  0  0  0
    4.8799    2.6449   -1.7184 C   0  0  0  0  0
    4.7650    3.0576   -3.0590 C   0  0  0  0  0
    3.9926    4.1728   -3.4247 C   0  0  0  0  0
    3.8999    4.5725   -4.7598 C   0  0  0  0  0
    4.5759    3.8631   -5.7480 C   0  0  0  0  0
    5.3454    2.7517   -5.4034 C   0  0  0  0  0
    5.4494    2.3385   -4.0655 C   0  0  0  0  0
    6.2248    1.2270   -3.7084 C   0  0  0  0  0
    6.3333    0.8324   -2.3739 C   0  0  0  0  0
    0.6244   -1.1454    1.7759 H   0  0  0  0  0
    3.8109   -0.3049   -0.7991 H   0  0  0  0  0
    4.6258   -1.2774    0.4130 H   0  0  0  0  0
    3.8322    0.8736    2.7582 H   0  0  0  0  0
    5.3113    1.7328    2.5742 H   0  0  0  0  0
    7.5409    0.2941    2.2138 H   0  0  0  0  0
    8.7362   -1.6338    3.1648 H   0  0  0  0  0
    7.5019   -3.3757    4.4262 H   0  0  0  0  0
    5.0453   -3.1858    4.7138 H   0  0  0  0  0
    3.8196   -1.2929    3.7196 H   0  0  0  0  0
    6.5394    0.2845    0.1301 H   0  0  0  0  0
    6.3547    1.9778    0.5668 H   0  0  0  0  0
    4.3591    3.1936   -0.9352 H   0  0  0  0  0
    3.4573    4.7409   -2.6673 H   0  0  0  0  0
    3.3000    5.4385   -5.0269 H   0  0  0  0  0
    4.5056    4.1731   -6.7872 H   0  0  0  0  0
    5.8677    2.2096   -6.1883 H   0  0  0  0  0
    6.7595    0.6620   -4.4684 H   0  0  0  0  0
    6.9533   -0.0270   -2.1290 H   0  0  0  0  0
  1  2  3  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL566468

>  <PubChem CID>
10446658

>  <Formula>
C21H19N

>  <Molecular Weight>
285.390000

>  <IUPAC Name>
N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C#CCN(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3C=C2

>  <Isomeric SMILES>
C#CCN(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3C=C2

>  <InChI Std. ID>
InChI=1S/C21H19N/c1-2-14-22(16-18-8-4-3-5-9-18)17-19-12-13-20-10-6-7-11-21(20)15-19/h1,3-13,15H,14,16-17H2

>  <InChI Key>
HZFMMDJCSVKFBX-UHFFFAOYSA-N

