LT3

(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine

Created: 2009-05-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count3
Bond Count30
Aromatic Bond Count6
2D diagram of LT3
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Chemical Component Summary

Name(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
Systematic Name (OpenEye OEToolkits)n/a
FormulaC12 H12 F3 N
Molecular Weight227.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04FC(F)(F)c1cccc2c1C3CCC2C3N
SMILESCACTVS3.341N[CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N
Canonical SMILESCACTVS3.341 N[C@H]1[C@H]2CC[C@@H]1c3c2cccc3C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N
InChIInChI1.03 InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1
InChIKeyInChI1.03 HHIJEPNAHYLKPE-RNSXUZJQSA-N

Drug Info: DrugBank

DrugBank IDDB08128 
Name(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
Groups experimental
Synonyms(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine

Drug Targets

NameTarget SequencePharmacological ActionActions
Phenylethanolamine N-methyltransferaseMSGADRSPNAGAAPDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNP...unknown
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 44176358