F91

N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

Created:2010-11-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count12
2D diagram of F91

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Chemical Component Summary

NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
Systematic Name (OpenEye OEToolkits)N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-amine
FormulaC14 H14 N2 O2
Molecular Weight242.273
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O1c2c(OCC1)cc(cc2)NCc3ccncc3
SMILESCACTVS3.370C1COc2cc(NCc3ccncc3)ccc2O1
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc1NCc3ccncc3)OCCO2
Canonical SMILESCACTVS3.370 C1COc2cc(NCc3ccncc3)ccc2O1
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc2c(cc1NCc3ccncc3)OCCO2
InChIInChI1.03 InChI=1S/C14H14N2O2/c1-2-13-14(18-8-7-17-13)9-12(1)16-10-11-3-5-15-6-4-11/h1-6,9,16H,7-8,10H2
InChIKeyInChI1.03 ZEHRBOVXNPCYAK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 961305
ChEMBL CHEMBL1533396