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3-[2-(Dimethylamino)ethoxy]-5-(trifluoromethyl)aniline

HCID 21049549
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CCOc1cc(N)cc(C(F)(F)F)c1
InChIKey
UFTCFHSUULJWFB-UHFFFAOYSA-N
Molecular formula
C11H15F3N2O
Average molar mass
248.24 g/mol

Names & identifiers

Preferred name
3-[2-(Dimethylamino)ethoxy]-5-(trifluoromethyl)aniline
IUPAC
3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)aniline

Names & synonyms

3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)aniline900254-37-73-(2-(dimethylamino)ethoxy)-5-(trifluoromethyl)anilineSCHEMBL545466SCHEMBL29802272AKOS021315009DB-356787A1-16540

Database identifiers

PubChem CID
21049549

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
38.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
233

Related reactions

5 records
New reaction record
HRID 934789 reaction equation
HRID 934789As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1050196 reaction equation
HRID 1050196As productuspto-grants-2016_07
HRID 1050197 reaction equation
HRID 1050197As reactantuspto-grants-2016_07
HRID 1994115 reaction equation
HRID 1994115As productuspto-grants-2010_01
HRID 1994116 reaction equation
HRID 1994116As productuspto-grants-2010_01

Compound notes

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