3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline

C11H15F3N2O — CID 60892118

IUPAC3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)5-6-17-10-4-2-3-9(15)7-10/h2-4,7H,5-6,8,15H2,1H3
InChIKeyGJXKSJCJUMWWCW-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.14
Rot. Bonds5

About 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline

3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline (PubChem CID 60892118) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
PubChem CID60892118
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)5-6-17-10-4-2-3-9(15)7-10/h2-4,7H,5-6,8,15H2,1H3
InChIKeyGJXKSJCJUMWWCW-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-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
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CID 61104642
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
CID 63687916

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
The IUPAC name of 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline (CID 60892118) is 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
The canonical SMILES for 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline is CN(CCOc1cccc(N)c1)CC(F)(F)F.
What is the InChIKey of 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
The InChIKey is GJXKSJCJUMWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(8-11(12,13)14)5-6-17-10-4-2-3-9(15)7-10/h2-4,7H,5-6,8,15H2,1H3.
What are the key properties of 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline?
3-[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 3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline is sourced from PubChem (CID 60892118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).