
 CHEMBL133433

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.2488    0.7775    0.7373 C   0  0  0  0  0
    2.6909    1.2540    0.8613 C   0  0  0  0  0
    3.5110    0.8439   -0.3703 C   0  0  0  0  0
    4.9567    1.1601   -0.2929 N   0  0  0  0  0
    5.6567    0.6145   -1.4789 C   0  0  0  0  0
    5.7579   -0.9192   -1.4678 C   0  0  0  0  0
    6.6289   -1.4226   -2.6112 C   0  0  0  0  0
    5.1642    2.6164   -0.1550 C   0  0  0  0  0
    6.6180    2.9968   -0.1084 C   0  0  0  0  0
    7.2439    3.6593   -1.3053 C   0  0  0  0  0
    7.0472    4.4547   -0.0330 C   0  0  0  0  0
    8.2699    4.8457    0.7785 C   0  0  0  0  0
    8.3930    4.4377    2.1199 C   0  0  0  0  0
    9.5206    4.7536    2.8855 C   0  0  0  0  0
   10.5565    5.4959    2.3273 C   0  0  0  0  0
   10.4566    5.9340    1.0109 C   0  0  0  0  0
    9.3249    5.6199    0.2582 C   0  0  0  0  0
    9.3038    6.1122   -1.0204 O   0  0  0  0  0
    0.6753    1.0678    1.6224 H   0  0  0  0  0
    1.2003   -0.3116    0.6426 H   0  0  0  0  0
    0.7665    1.2197   -0.1402 H   0  0  0  0  0
    3.1357    0.8261    1.7675 H   0  0  0  0  0
    2.6768    2.3427    0.9792 H   0  0  0  0  0
    3.0715    1.3022   -1.2661 H   0  0  0  0  0
    3.3834   -0.2383   -0.4744 H   0  0  0  0  0
    6.6901    0.9740   -1.5064 H   0  0  0  0  0
    5.1803    0.9595   -2.4055 H   0  0  0  0  0
    4.7714   -1.3834   -1.5639 H   0  0  0  0  0
    6.1891   -1.2564   -0.5172 H   0  0  0  0  0
    6.2060   -1.1368   -3.5791 H   0  0  0  0  0
    6.7010   -2.5141   -2.5795 H   0  0  0  0  0
    7.6422   -1.0146   -2.5436 H   0  0  0  0  0
    4.7398    2.9532    0.7970 H   0  0  0  0  0
    4.6469    3.1603   -0.9560 H   0  0  0  0  0
    7.2062    2.2822    0.4589 H   0  0  0  0  0
    6.6151    3.9027   -2.1541 H   0  0  0  0  0
    8.2414    3.3339   -1.5806 H   0  0  0  0  0
    6.2456    5.1907   -0.0355 H   0  0  0  0  0
    7.5984    3.8506    2.5763 H   0  0  0  0  0
    9.5887    4.4132    3.9155 H   0  0  0  0  0
   11.4377    5.7363    2.9156 H   0  0  0  0  0
   11.2559    6.5200    0.5667 H   0  0  0  0  0
    8.4469    5.8853   -1.4154 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  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  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 18 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL133433

>  <PubChem CID>
44355425

>  <Formula>
C16H25NO

>  <Molecular Weight>
247.382000

>  <IUPAC Name>
2-[(1S,2R)-2-[(dipropylamino)methyl]cyclopropyl]phenol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)CC1CC1C2=CC=CC=C2O

>  <Isomeric SMILES>
CCCN(CCC)C[C@@H]1C[C@@H]1C2=CC=CC=C2O

>  <InChI Std. ID>
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)12-13-11-15(13)14-7-5-6-8-16(14)18/h5-8,13,15,18H,3-4,9-12H2,1-2H3/t13-,15-/m0/s1

>  <InChI Key>
DXKCTJPTMVWVMM-ZFWWWQNUSA-N

