4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline

C15H14F3NO — CID 26189911

IUPAC4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
SMILESCc1ccc(Oc2ccc(N)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C15H14F3NO/c1-9-3-6-14(10(2)7-9)20-11-4-5-13(19)12(8-11)15(16,17)18/h3-8H,19H2,1-2H3
InChIKeyFNOOQJWXJFJPSC-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.70
Rot. Bonds2

About 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline

4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline (PubChem CID 26189911) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
PubChem CID26189911
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
SMILESCc1ccc(Oc2ccc(N)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C15H14F3NO/c1-9-3-6-14(10(2)7-9)20-11-4-5-13(19)12(8-11)15(16,17)18/h3-8H,19H2,1-2H3
InChIKeyFNOOQJWXJFJPSC-UHFFFAOYSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(trifluoromethyl)aniline
CID 2737710
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
CID 103174413
4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 11246357
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-(2-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63648643
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
4-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-2,6-dimethylaniline
CID 163915744
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
5-(2,4-dimethylphenoxy)-2-nitroaniline
CID 13478421
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
CID 54396173

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline (CID 26189911) is 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline is Cc1ccc(Oc2ccc(N)c(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline?
The InChIKey is FNOOQJWXJFJPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-3-6-14(10(2)7-9)20-11-4-5-13(19)12(8-11)15(16,17)18/h3-8H,19H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline?
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline has a molecular weight of 281.28 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 26189911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).