5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline

C12H16BrFN2O — CID 66110674

IUPAC5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
SMILESCC1CN(c2cc(F)c(Br)cc2N)CC(C)O1
InChIInChI=1S/C12H16BrFN2O/c1-7-5-16(6-8(2)17-7)12-4-10(14)9(13)3-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyPSZIQKNJQGCOCK-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline

5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline (PubChem CID 66110674) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
PubChem CID66110674
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
SMILESCC1CN(c2cc(F)c(Br)cc2N)CC(C)O1
InChIInChI=1S/C12H16BrFN2O/c1-7-5-16(6-8(2)17-7)12-4-10(14)9(13)3-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyPSZIQKNJQGCOCK-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline 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 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline (CID 66110674) is 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline is CC1CN(c2cc(F)c(Br)cc2N)CC(C)O1.
What is the InChIKey of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline?
The InChIKey is PSZIQKNJQGCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-7-5-16(6-8(2)17-7)12-4-10(14)9(13)3-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline?
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline has a molecular weight of 303.18 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline is sourced from PubChem (CID 66110674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).