2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline

C11H15F3N2O — CID 60892311

IUPAC2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
SMILESCN(CCOc1ccccc1N)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)6-7-17-10-5-3-2-4-9(10)15/h2-5H,6-8,15H2,1H3
InChIKeyORDKZNNQQONCCQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline

2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline (PubChem CID 60892311) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
PubChem CID60892311
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
SMILESCN(CCOc1ccccc1N)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)6-7-17-10-5-3-2-4-9(10)15/h2-5H,6-8,15H2,1H3
InChIKeyORDKZNNQQONCCQ-UHFFFAOYSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
N-[[2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62426739
3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61107702
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-[3-[methoxy(methyl)amino]propoxy]aniline
CID 43627567
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418
2-[2-(N,4-dimethylanilino)ethoxy]aniline
CID 55134719
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
The IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline (CID 60892311) is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline.
What is the SMILES notation for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
The canonical SMILES for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline is CN(CCOc1ccccc1N)CC(F)(F)F.
What is the InChIKey of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
The InChIKey is ORDKZNNQQONCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)6-7-17-10-5-3-2-4-9(10)15/h2-5H,6-8,15H2,1H3.
What are the key properties of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline has a molecular weight of 248.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline is sourced from PubChem (CID 60892311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).