7ZC

1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine

Created: 2017-02-23
Last modified:  2017-06-28

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count10
2D diagram of 7ZC

Chemical Component Summary

Name1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine
Systematic Name (OpenEye OEToolkits)1-(5-methoxy-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-methanamine
FormulaC12 H16 N2 O
Molecular Weight204.268
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccc2[nH]cc(CN(C)C)c2c1
SMILESOpenEye OEToolkits2.0.6CN(C)Cc1c[nH]c2c1cc(cc2)OC
Canonical SMILESCACTVS3.385 COc1ccc2[nH]cc(CN(C)C)c2c1
Canonical SMILESOpenEye OEToolkits2.0.6 CN(C)Cc1c[nH]c2c1cc(cc2)OC
InChIInChI1.03 InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3
InChIKeyInChI1.03 GOERTRUXQHDLHC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 27965
ChEMBL CHEMBL3769622