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

C9H10F3NO — CID 131481982

IUPAC3-methoxy-6-methyl-2-(trifluoromethyl)aniline
SMILESCOc1ccc(C)c(N)c1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-5-3-4-6(14-2)7(8(5)13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyLLRAVEZUEXUGOF-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.60
Rot. Bonds1

About 3-methoxy-6-methyl-2-(trifluoromethyl)aniline

3-methoxy-6-methyl-2-(trifluoromethyl)aniline (PubChem CID 131481982) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-methoxy-6-methyl-2-(trifluoromethyl)aniline
PubChem CID131481982
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-methoxy-6-methyl-2-(trifluoromethyl)aniline
SMILESCOc1ccc(C)c(N)c1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-5-3-4-6(14-2)7(8(5)13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyLLRAVEZUEXUGOF-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2-(trifluoromethyl)aniline?
The IUPAC name of 3-methoxy-6-methyl-2-(trifluoromethyl)aniline (CID 131481982) is 3-methoxy-6-methyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 3-methoxy-6-methyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 3-methoxy-6-methyl-2-(trifluoromethyl)aniline is COc1ccc(C)c(N)c1C(F)(F)F.
What is the InChIKey of 3-methoxy-6-methyl-2-(trifluoromethyl)aniline?
The InChIKey is LLRAVEZUEXUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-3-4-6(14-2)7(8(5)13)9(10,11)12/h3-4H,13H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-2-(trifluoromethyl)aniline?
3-methoxy-6-methyl-2-(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 3-methoxy-6-methyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 131481982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).