4-methoxy-N-methyl-N-(trifluoromethyl)aniline

C9H10F3NO — CID 15363790

IUPAC4-methoxy-N-methyl-N-(trifluoromethyl)aniline
SMILESCOc1ccc(N(C)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-13(9(10,11)12)7-3-5-8(14-2)6-4-7/h3-6H,1-2H3
InChIKeyZMFJOAJSKGCGJY-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.65
Rot. Bonds2

About 4-methoxy-N-methyl-N-(trifluoromethyl)aniline

4-methoxy-N-methyl-N-(trifluoromethyl)aniline (PubChem CID 15363790) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(trifluoromethyl)aniline
PubChem CID15363790
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name4-methoxy-N-methyl-N-(trifluoromethyl)aniline
SMILESCOc1ccc(N(C)C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-13(9(10,11)12)7-3-5-8(14-2)6-4-7/h3-6H,1-2H3
InChIKeyZMFJOAJSKGCGJY-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-methoxy-N-methyl-N-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(trifluoromethyl)aniline?
The IUPAC name of 4-methoxy-N-methyl-N-(trifluoromethyl)aniline (CID 15363790) is 4-methoxy-N-methyl-N-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-(trifluoromethyl)aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-(trifluoromethyl)aniline is COc1ccc(N(C)C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(trifluoromethyl)aniline?
The InChIKey is ZMFJOAJSKGCGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13(9(10,11)12)7-3-5-8(14-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(trifluoromethyl)aniline?
4-methoxy-N-methyl-N-(trifluoromethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(trifluoromethyl)aniline is sourced from PubChem (CID 15363790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).