
 SCHEMBL17056275

 42 43  0  0  0  0  0  0  0  0999 V2000
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    0.9482    1.5822   -0.4907 C   0  0  0  0  0
    0.9467    3.0153   -0.1079 N   0  0  0  0  0
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   -0.2947    4.9493    0.7658 C   0  0  0  0  0
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   -3.8765    5.3397    2.5688 Cl  0  0  0  0  0
   -1.4073    7.0125    1.6889 C   0  0  0  0  0
    2.2920    3.6317    0.1779 C   0  0  0  0  0
    3.0970    2.6749    1.0858 C   0  0  0  0  0
    3.0303    4.0706   -1.1107 C   0  0  0  0  0
    4.3407    4.6327   -1.1141 C   0  0  0  0  0
    4.9745    4.8881   -2.3571 C   0  0  0  0  0
    4.3014    4.7025   -3.5699 C   0  0  0  0  0
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    2.4509    2.2156    1.8430 H   0  0  0  0  0
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    4.3458    5.2083    0.9726 H   0  0  0  0  0
    5.6633    5.8664    0.0842 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17056275

>  <PubChem CID>
118349186

>  <Formula>
C18H21ClIN

>  <Molecular Weight>
413.727000

>  <IUPAC Name>
4-chloro-N-ethyl-N-[1-(3-iodo-2-methylphenyl)ethyl]-3-methylaniline

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCN(C1=CC(=C(C=C1)Cl)C)C(C)C2=C(C(=CC=C2)I)C

>  <Isomeric SMILES>
CCN(C1=CC(=C(C=C1)Cl)C)C(C)C2=C(C(=CC=C2)I)C

>  <InChI Std. ID>
InChI=1S/C18H21ClIN/c1-5-21(15-9-10-17(19)12(2)11-15)14(4)16-7-6-8-18(20)13(16)3/h6-11,14H,5H2,1-4H3

>  <InChI Key>
ACHIEEOICYQEGD-UHFFFAOYSA-N

