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

C12H16ClFN2O — CID 114088890

IUPAC4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
SMILESCC1CN(c2cc(Cl)c(F)cc2N)CC(C)O1
InChIInChI=1S/C12H16ClFN2O/c1-7-5-16(6-8(2)17-7)12-3-9(13)10(14)4-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyIMJUIWDLVCEGQR-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.67
Rot. Bonds1

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

4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline (PubChem CID 114088890) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline.

Molecular Properties

Compound Name4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
PubChem CID114088890
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline
SMILESCC1CN(c2cc(Cl)c(F)cc2N)CC(C)O1
InChIInChI=1S/C12H16ClFN2O/c1-7-5-16(6-8(2)17-7)12-3-9(13)10(14)4-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyIMJUIWDLVCEGQR-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'}

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Related Compounds

5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66110674
5-chloro-4-fluoro-2-(2-methylmorpholin-4-yl)aniline
CID 66076593
4-(difluoromethoxy)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoroaniline
CID 104957827
5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 66077635
5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66076821
5-(difluoromethyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]aniline
CID 112737548
5-chloro-4-fluoro-2-(3-methylpiperidin-1-yl)aniline
CID 66079508
N-[1-(2-amino-5-chloro-4-fluorophenyl)pyrrolidin-3-yl]acetamide
CID 114089074
3-chloro-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]aniline
CID 30044459
2-(2,6-dimethylmorpholin-4-yl)-5-methylsulfonylaniline
CID 43447927
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline?
The IUPAC name of 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline (CID 114088890) is 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline.
What is the SMILES notation for 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline?
The canonical SMILES for 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline is CC1CN(c2cc(Cl)c(F)cc2N)CC(C)O1.
What is the InChIKey of 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline?
The InChIKey is IMJUIWDLVCEGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-7-5-16(6-8(2)17-7)12-3-9(13)10(14)4-11(12)15/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline?
4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-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 4-chloro-2-(2,6-dimethylmorpholin-4-yl)-5-fluoroaniline is sourced from PubChem (CID 114088890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).