2-methoxy-6-methyl-4-(trifluoromethyl)aniline

C9H10F3NO — CID 131484039

IUPAC2-methoxy-6-methyl-4-(trifluoromethyl)aniline
SMILESCOc1cc(C(F)(F)F)cc(C)c1N
InChIInChI=1S/C9H10F3NO/c1-5-3-6(9(10,11)12)4-7(14-2)8(5)13/h3-4H,13H2,1-2H3
InChIKeyMZAWEUHEEUDOSB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.60
Rot. Bonds1

About 2-methoxy-6-methyl-4-(trifluoromethyl)aniline

2-methoxy-6-methyl-4-(trifluoromethyl)aniline (PubChem CID 131484039) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(trifluoromethyl)aniline
PubChem CID131484039
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-methoxy-6-methyl-4-(trifluoromethyl)aniline
SMILESCOc1cc(C(F)(F)F)cc(C)c1N
InChIInChI=1S/C9H10F3NO/c1-5-3-6(9(10,11)12)4-7(14-2)8(5)13/h3-4H,13H2,1-2H3
InChIKeyMZAWEUHEEUDOSB-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.60
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

2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470
4-[(4-amino-3-methoxy-5-methylphenyl)-phenyl-(4-phenylphenyl)methyl]-2-methoxy-6-methylaniline
CID 146643564
4-ethyl-2-methoxy-6-methylaniline
CID 131487767
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
CID 131481982
2-methoxy-6-methyl-4-nitrosoaniline
CID 89377766
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380865
6-methoxy-3,4-dimethylbenzene-1,2-diamine
CID 151295831

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-methoxy-6-methyl-4-(trifluoromethyl)aniline (CID 131484039) is 2-methoxy-6-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methoxy-6-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-methoxy-6-methyl-4-(trifluoromethyl)aniline is COc1cc(C(F)(F)F)cc(C)c1N.
What is the InChIKey of 2-methoxy-6-methyl-4-(trifluoromethyl)aniline?
The InChIKey is MZAWEUHEEUDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-3-6(9(10,11)12)4-7(14-2)8(5)13/h3-4H,13H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(trifluoromethyl)aniline?
2-methoxy-6-methyl-4-(trifluoromethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 131484039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).