HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

N-methyl-N-[2-(4-trifluoromethoxyphenoxy)ethyl]amine

HCID 18972791
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNCCOc1ccc(OC(F)(F)F)cc1
InChIKey
QGUHIZDFGJJSBP-UHFFFAOYSA-N
Molecular formula
C10H12F3NO2
Average molar mass
235.2 g/mol

Names & identifiers

Preferred name
N-methyl-N-[2-(4-trifluoromethoxyphenoxy)ethyl]amine
IUPAC
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine

Names & synonyms

N-methyl-N-[2-(4-trifluoromethoxyphenoxy)ethyl]amineSCHEMBL5535001

Database identifiers

PubChem CID
18972791

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
191

Related reactions

2 records
New reaction record
HRID 303816 reaction equation
HRID 303816As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 856087 reaction equation
HRID 856087As productuspto-grants-2007_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes