2-[4-amino-2-(trifluoromethyl)anilino]ethanol

C9H11F3N2O — CID 14473049

IUPAC2-[4-amino-2-(trifluoromethyl)anilino]ethanol
SMILESNc1ccc(NCCO)c(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(13)1-2-8(7)14-3-4-15/h1-2,5,14-15H,3-4,13H2
InChIKeyCPAYSTWHLBHZBZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-amino-2-(trifluoromethyl)anilino]ethanol

2-[4-amino-2-(trifluoromethyl)anilino]ethanol (PubChem CID 14473049) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)anilino]ethanol
PubChem CID14473049
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-[4-amino-2-(trifluoromethyl)anilino]ethanol
SMILESNc1ccc(NCCO)c(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(13)1-2-8(7)14-3-4-15/h1-2,5,14-15H,3-4,13H2
InChIKeyCPAYSTWHLBHZBZ-UHFFFAOYSA-N
XLogP1.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.69
H-Bond Donors ≤ 53
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-[4-amino-2-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)anilino]ethanol (CID 14473049) is 2-[4-amino-2-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)anilino]ethanol is Nc1ccc(NCCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)anilino]ethanol?
The InChIKey is CPAYSTWHLBHZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(13)1-2-8(7)14-3-4-15/h1-2,5,14-15H,3-4,13H2.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)anilino]ethanol?
2-[4-amino-2-(trifluoromethyl)anilino]ethanol has a molecular weight of 220.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 14473049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).