2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol

C11H15F3N2O2 — CID 61244638

IUPAC2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)9-7-8(1-2-10(9)15)16(3-5-17)4-6-18/h1-2,7,17-18H,3-6,15H2
InChIKeyOHKGGMXVKMRVDL-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol (PubChem CID 61244638) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
PubChem CID61244638
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)CCO)cc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)9-7-8(1-2-10(9)15)16(3-5-17)4-6-18/h1-2,7,17-18H,3-6,15H2
InChIKeyOHKGGMXVKMRVDL-UHFFFAOYSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol (CID 61244638) is 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol is Nc1ccc(N(CCO)CCO)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol?
The InChIKey is OHKGGMXVKMRVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)9-7-8(1-2-10(9)15)16(3-5-17)4-6-18/h1-2,7,17-18H,3-6,15H2.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol has a molecular weight of 264.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 61244638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).