505

(2R)-1-(2,6-dimethylphenoxy)propan-2-amine

Created:2007-12-05
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count30
Aromatic Bond Count6
2D diagram of 505

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
Systematic Name (OpenEye OEToolkits)(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
FormulaC11 H17 N O
Molecular Weight179.259
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1c(cccc1C)C)CC(N)C
SMILESCACTVS3.341C[CH](N)COc1c(C)cccc1C
SMILESOpenEye OEToolkits1.5.0Cc1cccc(c1OCC(C)N)C
Canonical SMILESCACTVS3.341 C[C@@H](N)COc1c(C)cccc1C
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1cccc(c1OC[C@@H](C)N)C
InChIInChI1.03 InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1
InChIKeyInChI1.03 VLPIATFUUWWMKC-SNVBAGLBSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07129 
Name(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
Groups experimental
Synonyms(2R)-1-(2,6-dimethylphenoxy)propan-2-amine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Urokinase-type plasminogen activatorMRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHW...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 180621
ChEMBL CHEMBL147507
CCDC/CSD JIZJEH, JIZJEH01, JALDOT, JIZJEH03