1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol

C11H14F3NO2 — CID 66274762

IUPAC1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
SMILESCC(OCC(O)c1ccccc1N)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7(11(12,13)14)17-6-10(16)8-4-2-3-5-9(8)15/h2-5,7,10,16H,6,15H2,1H3
InChIKeyHFNLNSYPUNJNSR-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.27
Rot. Bonds4

About 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol

1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol (PubChem CID 66274762) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
PubChem CID66274762
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
SMILESCC(OCC(O)c1ccccc1N)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-7(11(12,13)14)17-6-10(16)8-4-2-3-5-9(8)15/h2-5,7,10,16H,6,15H2,1H3
InChIKeyHFNLNSYPUNJNSR-UHFFFAOYSA-N
XLogP2.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
1-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275435
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
1-(3,4-dimethylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 66275709
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
CID 64831796
1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
CID 62269877
(1R)-1-(2-aminophenyl)-2-dimethoxyphosphorylethanol
CID 101339254
1-(2-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81058667
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol (CID 66274762) is 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol is CC(OCC(O)c1ccccc1N)C(F)(F)F.
What is the InChIKey of 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
The InChIKey is HFNLNSYPUNJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(11(12,13)14)17-6-10(16)8-4-2-3-5-9(8)15/h2-5,7,10,16H,6,15H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol has a molecular weight of 249.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol is sourced from PubChem (CID 66274762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).