2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline

C13H19F3N2O — CID 26189344

IUPAC2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline
SMILESCCN(CC)CCOc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H19F3N2O/c1-3-18(4-2)7-8-19-12-6-5-10(9-11(12)17)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyDKIIYOCZGXETPR-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.01
Rot. Bonds6

About 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline

2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline (PubChem CID 26189344) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline
PubChem CID26189344
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline
SMILESCCN(CC)CCOc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H19F3N2O/c1-3-18(4-2)7-8-19-12-6-5-10(9-11(12)17)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyDKIIYOCZGXETPR-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline (CID 26189344) is 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline is CCN(CC)CCOc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline?
The InChIKey is DKIIYOCZGXETPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-18(4-2)7-8-19-12-6-5-10(9-11(12)17)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline?
2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline has a molecular weight of 276.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 26189344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).