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

C11H15F3N2O2 — CID 14793683

IUPAC2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
SMILESNc1ccc(NCCOCCO)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)9-7-8(15)1-2-10(9)16-3-5-18-6-4-17/h1-2,7,16-17H,3-6,15H2
InChIKeyOUDYFIWUHVVTDO-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.71
Rot. Bonds6

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

2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol (PubChem CID 14793683) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
PubChem CID14793683
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
SMILESNc1ccc(NCCOCCO)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)9-7-8(15)1-2-10(9)16-3-5-18-6-4-17/h1-2,7,16-17H,3-6,15H2
InChIKeyOUDYFIWUHVVTDO-UHFFFAOYSA-N
XLogP1.71
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethoxy]ethyl]carbamate
CID 102530973
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline
CID 135259065
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
1-N-pent-4-enyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 114264599
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol (CID 14793683) is 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol is Nc1ccc(NCCOCCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol?
The InChIKey is OUDYFIWUHVVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)9-7-8(15)1-2-10(9)16-3-5-18-6-4-17/h1-2,7,16-17H,3-6,15H2.
What are the key properties of 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol?
2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol has a molecular weight of 264.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol is sourced from PubChem (CID 14793683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).