40D

3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine

Created:2014-12-22
Last modified:  2015-03-18

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count12
2D diagram of 40D

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

Name3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine
Systematic Name (OpenEye OEToolkits)3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine
FormulaC17 H17 Br F3 N O
Molecular Weight388.222
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNCCC(Oc1ccc(cc1Br)C(F)(F)F)c2ccccc2
SMILESOpenEye OEToolkits1.9.2CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F
Canonical SMILESCACTVS3.385 CNCCC(Oc1ccc(cc1Br)C(F)(F)F)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.9.2 CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F
InChIInChI1.03 InChI=1S/C17H17BrF3NO/c1-22-10-9-15(12-5-3-2-4-6-12)23-16-8-7-13(11-14(16)18)17(19,20)21/h2-8,11,15,22H,9-10H2,1H3
InChIKeyInChI1.03 KZCOQBCCEHGWOG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137348199