GWV

~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline

Created: 2018-06-01
Last modified:  2018-07-18

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count34
Aromatic Bond Count6
2D diagram of GWV

Chemical Component Summary

Name~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Systematic Name (OpenEye OEToolkits)~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
FormulaC12 H20 N2
Molecular Weight192.301
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)NCc1ccc(cc1)N(C)C
SMILESOpenEye OEToolkits2.0.6CC(C)NCc1ccc(cc1)N(C)C
Canonical SMILESCACTVS3.385 CC(C)NCc1ccc(cc1)N(C)C
Canonical SMILESOpenEye OEToolkits2.0.6 CC(C)NCc1ccc(cc1)N(C)C
InChIInChI1.03 InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
InChIKeyInChI1.03 NZXPKDJRJFKEIC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2774184