5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline

C12H16ClFN2O — CID 66076821

IUPAC5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline
SMILESCC1CN(c2cc(F)c(Cl)cc2N)C(C)CO1
InChIInChI=1S/C12H16ClFN2O/c1-7-6-17-8(2)5-16(7)12-4-10(14)9(13)3-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyZKNLQHGHRRIKGL-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.67
Rot. Bonds1

About 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline

5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline (PubChem CID 66076821) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline
PubChem CID66076821
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline
SMILESCC1CN(c2cc(F)c(Cl)cc2N)C(C)CO1
InChIInChI=1S/C12H16ClFN2O/c1-7-6-17-8(2)5-16(7)12-4-10(14)9(13)3-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyZKNLQHGHRRIKGL-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2,5-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-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline?
The IUPAC name of 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline (CID 66076821) is 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline.
What is the SMILES notation for 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline?
The canonical SMILES for 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline is CC1CN(c2cc(F)c(Cl)cc2N)C(C)CO1.
What is the InChIKey of 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline?
The InChIKey is ZKNLQHGHRRIKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-7-6-17-8(2)5-16(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-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline?
5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline has a molecular weight of 258.72 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline is sourced from PubChem (CID 66076821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).