M85

7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine

Created:2015-08-21
Last modified:  2015-10-28

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count17
2D diagram of M85

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Chemical Component Summary

Name7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
Systematic Name (OpenEye OEToolkits)7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
FormulaC18 H19 N3 O
Molecular Weight293.363
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
SMILESOpenEye OEToolkits1.7.6CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N
Canonical SMILESCACTVS3.385 CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Canonical SMILESOpenEye OEToolkits1.7.6 CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N
InChIInChI1.03 InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
InChIKeyInChI1.03 QFZGTQOWVVISDX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3736586
PubChem 91971384
ChEMBL CHEMBL3736586