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

C9H10F3NO — CID 59427873

IUPAC6-methoxy-2-methyl-3-(trifluoromethyl)aniline
SMILESCOc1ccc(C(F)(F)F)c(C)c1N
InChIInChI=1S/C9H10F3NO/c1-5-6(9(10,11)12)3-4-7(14-2)8(5)13/h3-4H,13H2,1-2H3
InChIKeyWRPVIZFFBCXKEJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.60
Rot. Bonds1

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

6-methoxy-2-methyl-3-(trifluoromethyl)aniline (PubChem CID 59427873) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(trifluoromethyl)aniline
PubChem CID59427873
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name6-methoxy-2-methyl-3-(trifluoromethyl)aniline
SMILESCOc1ccc(C(F)(F)F)c(C)c1N
InChIInChI=1S/C9H10F3NO/c1-5-6(9(10,11)12)3-4-7(14-2)8(5)13/h3-4H,13H2,1-2H3
InChIKeyWRPVIZFFBCXKEJ-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 6-methoxy-2-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of 6-methoxy-2-methyl-3-(trifluoromethyl)aniline (CID 59427873) is 6-methoxy-2-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 6-methoxy-2-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 6-methoxy-2-methyl-3-(trifluoromethyl)aniline is COc1ccc(C(F)(F)F)c(C)c1N.
What is the InChIKey of 6-methoxy-2-methyl-3-(trifluoromethyl)aniline?
The InChIKey is WRPVIZFFBCXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-6(9(10,11)12)3-4-7(14-2)8(5)13/h3-4H,13H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3-(trifluoromethyl)aniline?
6-methoxy-2-methyl-3-(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 6-methoxy-2-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 59427873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).