HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

(4-Methoxy-benzyl)-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-amine

HCID 57734027
New noteNew reactionRequest quotesPrint preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIKey
MXMNQOOMVIRXTI-UHFFFAOYSA-N
Molecular formula
C21H16F6N2O
Average molar mass
426.4 g/mol

Names & identifiers

Preferred name
(4-Methoxy-benzyl)-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-amine
IUPAC
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine

Names & synonyms

(4-Methoxy-benzyl)-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-amineSCHEMBL2087964

Database identifiers

PubChem CID
57734027

Properties

Computed structural propertiesFilling in

XLogP
6.1
Topological polar surface area
34.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
525

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

4 records
New reaction record
HRID 168629 reaction equation
HRID 168629As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 814657 reaction equation
HRID 814657As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1696744 reaction equation
HRID 1696744As productuspto-grants-2012_04
HRID 1696745 reaction equation
HRID 1696745As reactantuspto-grants-2012_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes