5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline

C13H18ClFN2O — CID 66077635

IUPAC5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2cc(F)c(Cl)cc2N)CC(C)(C)O1
InChIInChI=1S/C13H18ClFN2O/c1-8-6-17(7-13(2,3)18-8)12-5-10(15)9(14)4-11(12)16/h4-5,8H,6-7,16H2,1-3H3
InChIKeyXZPMLQGEPYKJHL-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.07
Rot. Bonds1

About 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline

5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline (PubChem CID 66077635) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
PubChem CID66077635
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2cc(F)c(Cl)cc2N)CC(C)(C)O1
InChIInChI=1S/C13H18ClFN2O/c1-8-6-17(7-13(2,3)18-8)12-5-10(15)9(14)4-11(12)16/h4-5,8H,6-7,16H2,1-3H3
InChIKeyXZPMLQGEPYKJHL-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methoxy-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 55216847
5-fluoro-2-methoxy-4-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 107259104
5-chloro-4-fluoro-2-(2-methylmorpholin-4-yl)aniline
CID 66076593
4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
CID 114088890
2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 81166311
4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde
CID 114844209
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114861313
5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66076821
5-chloro-4-fluoro-2-(3-methylpiperidin-1-yl)aniline
CID 66079508
5-chloro-4-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)aniline
CID 107390537
[4-(4-chloro-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779331
(E)-3-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]prop-2-enoic acid
CID 114858419

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline?
The IUPAC name of 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline (CID 66077635) is 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline?
The canonical SMILES for 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline is CC1CN(c2cc(F)c(Cl)cc2N)CC(C)(C)O1.
What is the InChIKey of 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline?
The InChIKey is XZPMLQGEPYKJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8-6-17(7-13(2,3)18-8)12-5-10(15)9(14)4-11(12)16/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline?
5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline has a molecular weight of 272.75 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline is sourced from PubChem (CID 66077635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).