
 CHEMBL341373

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.8409    0.5809    1.1907 C   0  0  0  0  0
    2.3441    0.4106   -0.2408 C   0  0  0  0  0
    3.7693    0.7590   -0.4269 N   0  0  0  0  0
    4.2148    0.3900   -1.7888 C   0  0  0  0  0
    4.3074   -1.1191   -2.0059 C   0  0  0  0  0
    3.9913    2.1940   -0.1762 C   0  0  0  0  0
    5.4552    2.5418   -0.1721 C   0  0  0  0  0
    6.0303    3.4114   -1.2561 C   0  0  0  0  0
    5.8860    3.9644    0.1453 C   0  0  0  0  0
    7.1297    4.2299    0.9714 C   0  0  0  0  0
    8.1736    5.0094    0.4355 C   0  0  0  0  0
    9.3360    5.2885    1.1615 C   0  0  0  0  0
    9.4811    4.7996    2.4550 C   0  0  0  0  0
    8.4607    4.0421    3.0218 C   0  0  0  0  0
    7.3042    3.7698    2.2891 C   0  0  0  0  0
    6.3492    3.0339    2.9393 O   0  0  0  0  0
    0.8396    0.1444    1.2845 H   0  0  0  0  0
    1.7584    1.6335    1.4770 H   0  0  0  0  0
    2.4958    0.0715    1.9043 H   0  0  0  0  0
    1.7089    0.9913   -0.9216 H   0  0  0  0  0
    2.1867   -0.6454   -0.4838 H   0  0  0  0  0
    5.2240    0.7729   -1.9735 H   0  0  0  0  0
    3.5643    0.8369   -2.5504 H   0  0  0  0  0
    4.9221   -1.5923   -1.2320 H   0  0  0  0  0
    4.7750   -1.3261   -2.9752 H   0  0  0  0  0
    3.3253   -1.6012   -2.0139 H   0  0  0  0  0
    3.6284    2.4579    0.8225 H   0  0  0  0  0
    3.4372    2.8109   -0.8946 H   0  0  0  0  0
    6.0711    1.7374    0.2190 H   0  0  0  0  0
    5.3691    3.8013   -2.0218 H   0  0  0  0  0
    7.0160    3.1512   -1.6258 H   0  0  0  0  0
    5.0899    4.6950    0.2836 H   0  0  0  0  0
    8.0800    5.4084   -0.5728 H   0  0  0  0  0
   10.1245    5.8884    0.7140 H   0  0  0  0  0
   10.3823    5.0107    3.0234 H   0  0  0  0  0
    8.5602    3.6620    4.0345 H   0  0  0  0  0
    5.6225    2.8611    2.3204 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5 24  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  9  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 16 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL341373

>  <PubChem CID>
44355128

>  <Formula>
C14H21NO

>  <Molecular Weight>
219.328000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC)CC1CC1C2=CC=CC=C2O

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

>  <InChI Std. ID>
InChI=1S/C14H21NO/c1-3-15(4-2)10-11-9-13(11)12-7-5-6-8-14(12)16/h5-8,11,13,16H,3-4,9-10H2,1-2H3/t11-,13+/m1/s1

>  <InChI Key>
XWZXWOIUWIDZQF-YPMHNXCESA-N

