4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline

C10H12F3NO2 — CID 6485752

IUPAC4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline
SMILESCOCCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChIKeyMTLLVZDLLCJHSE-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.31
Rot. Bonds4

About 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline

4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline (PubChem CID 6485752) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline
PubChem CID6485752
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline
SMILESCOCCOc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChIKeyMTLLVZDLLCJHSE-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)-3-(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-(2-methoxyethoxy)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline (CID 6485752) is 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline is COCCOc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline?
The InChIKey is MTLLVZDLLCJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6H,4-5,14H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline?
4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline has a molecular weight of 235.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 6485752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).