2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol

C10H13F3N2O — CID 107478278

IUPAC2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-15(5-6-16)9-3-1-8(14)2-4-9/h1-4,16H,5-7,14H2
InChIKeyYUMCYHSMKJPLAO-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107478278) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107478278
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-15(5-6-16)9-3-1-8(14)2-4-9/h1-4,16H,5-7,14H2
InChIKeyYUMCYHSMKJPLAO-UHFFFAOYSA-N
XLogP1.63
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
2-[N-(2-hydroxyethyl)anilino]ethanol;2-[N-(2-hydroxyethyl)-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]ethanol;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline
CID 157205842
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzonitrile
CID 107479609
2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478314
2-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480241
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107478278) is 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol is Nc1ccc(N(CCO)CC(F)(F)F)cc1.
What is the InChIKey of 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is YUMCYHSMKJPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)7-15(5-6-16)9-3-1-8(14)2-4-9/h1-4,16H,5-7,14H2.
What are the key properties of 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 234.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).