DP8

N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine

Created:2015-01-06
Last modified:  2015-02-11

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count12
2D diagram of DP8

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Chemical Component Summary

NameN,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine
Systematic Name (OpenEye OEToolkits)N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine
FormulaC16 H19 N O2
Molecular Weight257.328
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c2ccc(Oc1ccccc1)cc2)CCN(C)C
SMILESCACTVS3.385CN(C)CCOc1ccc(Oc2ccccc2)cc1
SMILESOpenEye OEToolkits1.7.6CN(C)CCOc1ccc(cc1)Oc2ccccc2
Canonical SMILESCACTVS3.385 CN(C)CCOc1ccc(Oc2ccccc2)cc1
Canonical SMILESOpenEye OEToolkits1.7.6 CN(C)CCOc1ccc(cc1)Oc2ccccc2
InChIInChI1.03 InChI=1S/C16H19NO2/c1-17(2)12-13-18-14-8-10-16(11-9-14)19-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyInChI1.03 INAQPAUETXGHJF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3921982
PubChem 87057595
ChEMBL CHEMBL3921982