SW2

1-[3-(1H-pyrrol-1-yl)phenyl]methanamine

Created:2011-06-08
Last modified:  2011-06-08

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count11
2D diagram of SW2

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Chemical Component Summary

Name1-[3-(1H-pyrrol-1-yl)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)(3-pyrrol-1-ylphenyl)methanamine
FormulaC11 H12 N2
Molecular Weight172.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(cc1CN)n2cccc2
SMILESCACTVS3.370NCc1cccc(c1)n2cccc2
SMILESOpenEye OEToolkits1.7.2c1ccn(c1)c2cccc(c2)CN
Canonical SMILESCACTVS3.370 NCc1cccc(c1)n2cccc2
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccn(c1)c2cccc(c2)CN
InChIInChI1.03 InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2
InChIKeyInChI1.03 XLBYUDUEHVKUKQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2776533