4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline

C11H15F3N2O — CID 45075277

IUPAC4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline
SMILESCN(C)CCOc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c1-16(2)5-6-17-8-3-4-10(15)9(7-8)11(12,13)14/h3-4,7H,5-6,15H2,1-2H3
InChIKeyNBBKWJDWBUWKSV-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.23
Rot. Bonds4

About 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline

4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline (PubChem CID 45075277) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline
PubChem CID45075277
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline
SMILESCN(C)CCOc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c1-16(2)5-6-17-8-3-4-10(15)9(7-8)11(12,13)14/h3-4,7H,5-6,15H2,1-2H3
InChIKeyNBBKWJDWBUWKSV-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.23
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 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline (CID 45075277) is 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline is CN(C)CCOc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline?
The InChIKey is NBBKWJDWBUWKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(2)5-6-17-8-3-4-10(15)9(7-8)11(12,13)14/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline?
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline has a molecular weight of 248.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 45075277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).