
 CHEMBL287651

 43 44  0  0  0  0  0  0  0  0999 V2000
    6.8021    8.9162    1.0342 C   0  0  0  0  0
    7.8284    7.8648    0.5992 C   0  0  0  0  0
    8.7532    7.5348    1.7724 C   0  0  0  0  0
    7.0839    6.6319    0.0523 C   0  0  0  0  0
    7.9861    5.5947   -0.4643 N   0  0  0  0  0
    7.1894    4.4999   -1.0635 C   0  0  0  0  0
    8.1215    3.3854   -1.5712 C   0  0  0  0  0
    7.3523    2.2884   -2.3170 C   0  0  0  0  0
    6.4771    1.6177   -1.4019 O   0  0  0  0  0
    5.9584    0.4159   -1.8261 C   0  0  0  0  0
    6.7366   -0.5385   -2.4909 C   0  0  0  0  0
    6.1925   -1.7691   -2.8489 C   0  0  0  0  0
    4.8730   -2.0697   -2.5245 C   0  0  0  0  0
    4.0797   -1.1478   -1.8290 C   0  0  0  0  0
    2.7592   -1.4755   -1.4798 C   0  0  0  0  0
    1.9613   -0.5747   -0.7758 C   0  0  0  0  0
    2.4729    0.6672   -0.4191 C   0  0  0  0  0
    3.7841    1.0068   -0.7603 C   0  0  0  0  0
    4.6184    0.1134   -1.4676 C   0  0  0  0  0
    9.1077    3.9581   -2.4395 O   0  0  0  0  0
    6.1798    9.2248    0.1874 H   0  0  0  0  0
    7.2961    9.8102    1.4288 H   0  0  0  0  0
    6.1395    8.5236    1.8141 H   0  0  0  0  0
    8.4371    8.2988   -0.2048 H   0  0  0  0  0
    8.2021    7.0644    2.5932 H   0  0  0  0  0
    9.2228    8.4455    2.1609 H   0  0  0  0  0
    9.5597    6.8602    1.4692 H   0  0  0  0  0
    6.4210    6.9636   -0.7569 H   0  0  0  0  0
    6.4521    6.2069    0.8423 H   0  0  0  0  0
    8.5313    5.2164    0.3127 H   0  0  0  0  0
    6.6294    4.9082   -1.9132 H   0  0  0  0  0
    6.4794    4.0942   -0.3344 H   0  0  0  0  0
    8.6494    2.9416   -0.7177 H   0  0  0  0  0
    8.0925    1.6247   -2.7715 H   0  0  0  0  0
    6.7603    2.7228   -3.1325 H   0  0  0  0  0
    7.7845   -0.3690   -2.7124 H   0  0  0  0  0
    6.8053   -2.5028   -3.3659 H   0  0  0  0  0
    4.4726   -3.0415   -2.8050 H   0  0  0  0  0
    2.3434   -2.4438   -1.7496 H   0  0  0  0  0
    0.9427   -0.8462   -0.5090 H   0  0  0  0  0
    1.8528    1.3711    0.1295 H   0  0  0  0  0
    4.1603    1.9841   -0.4662 H   0  0  0  0  0
    9.2889    4.8428   -2.0587 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  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 20  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL287651

>  <PubChem CID>
105110

>  <Formula>
C17H23NO2

>  <Molecular Weight>
273.376000

>  <IUPAC Name>
1-(2-methylpropylamino)-3-naphthalen-1-yloxypropan-2-ol

>  <XlogP>
3.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CNCC(COC1=CC=CC2=CC=CC=C21)O

>  <Isomeric SMILES>
CC(C)CNCC(COC1=CC=CC2=CC=CC=C21)O

>  <InChI Std. ID>
InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3

>  <InChI Key>
BBNJVDLLHMJGCV-UHFFFAOYSA-N

