86L

(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine

Created:2016-12-14
Last modified:  2017-05-24

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of 86L

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Chemical Component Summary

Name(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine
Systematic Name (OpenEye OEToolkits)(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine
FormulaC10 H14 Cl N O
Molecular Weight199.677
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)Oc1ccc(CN)cc1Cl
SMILESOpenEye OEToolkits2.0.6CC(C)Oc1ccc(cc1Cl)CN
Canonical SMILESCACTVS3.385 CC(C)Oc1ccc(CN)cc1Cl
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)Oc1ccc(cc1Cl)CN
InChIInChI1.03 InChI=1S/C10H14ClNO/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-5,7H,6,12H2,1-2H3
InChIKeyInChI1.03 IMVIKRQERQOQKJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12224369
ChEMBL CHEMBL4117551