
 CHEMBL3775769

 46 45  0  0  0  0  0  0  0  0999 V2000
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    3.1303   -0.5283    1.2395 C   0  0  0  0  0
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    2.5988   -2.7937    0.3524 O   0  0  0  0  0
    1.4623   -3.1188    1.0611 C   0  0  0  0  0
    0.9711   -4.5017    0.6513 C   0  0  0  0  0
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    1.8278    1.5334   -1.9459 Cl  0  0  0  0  0
    2.0687   -1.2154    2.9967 H   0  0  0  0  0
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   -5.0444   -7.5421    4.8466 H   0  0  0  0  0
    1.3807    2.8038   -1.6630 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
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  2  7  1  0  0  0
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  8 29  1  0  0  0
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 20 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3775769

>  <PubChem CID>
117858131

>  <Formula>
C15H26ClNO3

>  <Molecular Weight>
303.827000

>  <IUPAC Name>
(2S)-2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethylamino]propan-1-ol;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)OCCOCCNC(C)CO.Cl

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)OCCOCCN[C@@H](C)CO.Cl

>  <InChI Std. ID>
InChI=1S/C15H25NO3.ClH/c1-12-5-4-6-13(2)15(12)19-10-9-18-8-7-16-14(3)11-17;/h4-6,14,16-17H,7-11H2,1-3H3;1H/t14-;/m0./s1

>  <InChI Key>
BFBVSDYKRDBSFJ-UQKRIMTDSA-N

