
 CHEMBL1255003

 58 60  0  0  0  0  0  0  0  0999 V2000
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    0.4831   -1.5156    5.1562 H   0  0  0  0  0
    1.3221   -2.7624    4.2106 H   0  0  0  0  0
    3.7546    1.9678    1.7730 H   0  0  0  0  0
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   -6.0904   -1.7535   -3.0947 H   0  0  0  0  0
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  1 30  1  0  0  0
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  2  3  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1255003

>  <PubChem CID>
52947088

>  <Formula>
C25H29NO3

>  <Molecular Weight>
391.511000

>  <IUPAC Name>
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)OCCNCCOC2=CC=CC=C2OCC3=CC=CC=C3

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)OCCNCCOC2=CC=CC=C2OCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H29NO3/c1-20-9-8-10-21(2)25(20)28-18-16-26-15-17-27-23-13-6-7-14-24(23)29-19-22-11-4-3-5-12-22/h3-14,26H,15-19H2,1-2H3

>  <InChI Key>
BASQZMOJDHSJPS-UHFFFAOYSA-N

