3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline

C13H17F3N2O3 — CID 90002235

IUPAC3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
SMILESNc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)21-12-8-10(17)7-11(9-12)20-6-3-18-1-4-19-5-2-18/h7-9H,1-6,17H2
InChIKeyUEZOZFBVSLRWOG-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.88
Rot. Bonds5

About 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline

3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline (PubChem CID 90002235) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
PubChem CID90002235
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline
SMILESNc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)21-12-8-10(17)7-11(9-12)20-6-3-18-1-4-19-5-2-18/h7-9H,1-6,17H2
InChIKeyUEZOZFBVSLRWOG-UHFFFAOYSA-N
XLogP1.88
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)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 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
The IUPAC name of 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline (CID 90002235) is 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
The canonical SMILES for 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline is Nc1cc(OCCN2CCOCC2)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
The InChIKey is UEZOZFBVSLRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c14-13(15,16)21-12-8-10(17)7-11(9-12)20-6-3-18-1-4-19-5-2-18/h7-9H,1-6,17H2.
What are the key properties of 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline?
3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline has a molecular weight of 306.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 90002235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).