2-morpholin-4-yl-6-(trifluoromethyl)aniline

C11H13F3N2O — CID 131862502

IUPAC2-morpholin-4-yl-6-(trifluoromethyl)aniline
SMILESNc1c(N2CCOCC2)cccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-2-1-3-9(10(8)15)16-4-6-17-7-5-16/h1-3H,4-7,15H2
InChIKeyLKOAQHZHHYBAQE-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.12
Rot. Bonds1

About 2-morpholin-4-yl-6-(trifluoromethyl)aniline

2-morpholin-4-yl-6-(trifluoromethyl)aniline (PubChem CID 131862502) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(trifluoromethyl)aniline
PubChem CID131862502
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-morpholin-4-yl-6-(trifluoromethyl)aniline
SMILESNc1c(N2CCOCC2)cccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-2-1-3-9(10(8)15)16-4-6-17-7-5-16/h1-3H,4-7,15H2
InChIKeyLKOAQHZHHYBAQE-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-yl-6-(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

Related Compounds

2-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)aniline
CID 67533765
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
2-chloro-6-(1,4-oxazepan-4-yl)aniline
CID 104834491
2-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 166601515
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
CID 16728105
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
2-fluoro-6-morpholin-4-ylphenol
CID 46737228
5-morpholin-4-yl-2-nitro-4-(trifluoromethyl)aniline
CID 141059640
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)aniline?
The IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)aniline (CID 131862502) is 2-morpholin-4-yl-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-morpholin-4-yl-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-morpholin-4-yl-6-(trifluoromethyl)aniline is Nc1c(N2CCOCC2)cccc1C(F)(F)F.
What is the InChIKey of 2-morpholin-4-yl-6-(trifluoromethyl)aniline?
The InChIKey is LKOAQHZHHYBAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-2-1-3-9(10(8)15)16-4-6-17-7-5-16/h1-3H,4-7,15H2.
What are the key properties of 2-morpholin-4-yl-6-(trifluoromethyl)aniline?
2-morpholin-4-yl-6-(trifluoromethyl)aniline has a molecular weight of 246.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 131862502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).