4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline

C13H19F3N2O — CID 79679748

IUPAC4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
SMILESCN(C)C(C)(C)COc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-12(2,18(3)4)8-19-9-5-6-11(17)10(7-9)13(14,15)16/h5-7H,8,17H2,1-4H3
InChIKeyJHCPGLSIHVOZGX-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.01
Rot. Bonds4

About 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline

4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline (PubChem CID 79679748) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
PubChem CID79679748
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
SMILESCN(C)C(C)(C)COc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c1-12(2,18(3)4)8-19-9-5-6-11(17)10(7-9)13(14,15)16/h5-7H,8,17H2,1-4H3
InChIKeyJHCPGLSIHVOZGX-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.01
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

4-(4-methylpentoxy)-2-(trifluoromethyl)aniline
CID 28995037
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-(2-bromoethoxy)-2-(trifluoromethyl)aniline
CID 168997372
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline
CID 164576758
4-(5-aminopentoxy)-2-(trifluoromethyl)aniline;dihydrochloride
CID 164576757
4-[4-amino-3-(trifluoromethyl)phenoxy]butanoic acid
CID 141131986
[4-amino-3-(trifluoromethyl)phenyl] methanesulfonate
CID 121271151
3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline
CID 80752743
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 115469310
1-[4-[(1S)-1-aminoethyl]phenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680323
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline (CID 79679748) is 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline is CN(C)C(C)(C)COc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline?
The InChIKey is JHCPGLSIHVOZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-12(2,18(3)4)8-19-9-5-6-11(17)10(7-9)13(14,15)16/h5-7H,8,17H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline?
4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline has a molecular weight of 276.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 79679748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).