
 CHEMBL37844

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.0905    1.6805    1.4967 C   0  0  0  0  0
    2.5945    1.8044    1.2931 C   0  0  0  0  0
    2.9733    1.5353   -0.1691 C   0  0  0  0  0
    4.4331    1.5083   -0.4062 N   0  0  0  0  0
    4.7306    1.0901   -1.7895 C   0  0  0  0  0
    4.5235   -0.4181   -1.9941 C   0  0  0  0  0
    4.9057   -0.8495   -3.4023 C   0  0  0  0  0
    5.0803    2.7938   -0.0358 C   0  0  0  0  0
    5.8407    2.8071    1.2611 C   0  0  0  0  0
    6.5910    2.9665   -0.0387 C   0  0  0  0  0
    7.2508    4.3072   -0.3119 C   0  0  0  0  0
    8.2506    4.7721    0.5668 C   0  0  0  0  0
    8.8898    6.0001    0.3796 C   0  0  0  0  0
    8.5505    6.8012   -0.7049 C   0  0  0  0  0
    7.5766    6.3664   -1.6028 C   0  0  0  0  0
    6.9517    5.1331   -1.4101 C   0  0  0  0  0
    6.0352    4.7759   -2.3626 O   0  0  0  0  0
    0.8271    1.9081    2.5343 H   0  0  0  0  0
    0.7478    0.6646    1.2748 H   0  0  0  0  0
    0.5474    2.3750    0.8471 H   0  0  0  0  0
    3.1054    1.0937    1.9529 H   0  0  0  0  0
    2.9018    2.8126    1.5913 H   0  0  0  0  0
    2.5000    2.2882   -0.8133 H   0  0  0  0  0
    2.5365    0.5676   -0.4368 H   0  0  0  0  0
    5.7812    1.3003   -2.0216 H   0  0  0  0  0
    4.1352    1.6667   -2.5085 H   0  0  0  0  0
    3.4802   -0.7031   -1.8268 H   0  0  0  0  0
    5.1313   -0.9774   -1.2720 H   0  0  0  0  0
    4.2853   -0.3425   -4.1474 H   0  0  0  0  0
    4.7613   -1.9285   -3.5185 H   0  0  0  0  0
    5.9555   -0.6231   -3.6131 H   0  0  0  0  0
    4.4925    3.6836   -0.2595 H   0  0  0  0  0
    5.9671    1.8725    1.7972 H   0  0  0  0  0
    5.7045    3.6668    1.9068 H   0  0  0  0  0
    7.1812    2.1044   -0.3447 H   0  0  0  0  0
    8.5324    4.1612    1.4230 H   0  0  0  0  0
    9.6569    6.3256    1.0787 H   0  0  0  0  0
    9.0435    7.7577   -0.8554 H   0  0  0  0  0
    7.3113    6.9830   -2.4546 H   0  0  0  0  0
    5.7883    3.8502   -2.2086 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL37844

>  <PubChem CID>
13972211

>  <Formula>
C15H23NO

>  <Molecular Weight>
233.355000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC1C2=CC=CC=C2O

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

>  <InChI Std. ID>
InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13(14)12-7-5-6-8-15(12)17/h5-8,13-14,17H,3-4,9-11H2,1-2H3/t13-,14+/m1/s1

>  <InChI Key>
LARFBOKVMNMLSW-KGLIPLIRSA-N

