4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline

C13H18F2N2O — CID 70839117

IUPAC4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
SMILESCNc1ccc(N2CC(C)O[C@H](C)C2)c(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)11-5-4-10(16-3)12(14)13(11)15/h4-5,8-9,16H,6-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyBJXZTKPILLWNLJ-VEDVMXKPSA-N
MW256.30 g/mol
LogP2.62
Rot. Bonds2

About 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline

4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline (PubChem CID 70839117) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
PubChem CID70839117
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
SMILESCNc1ccc(N2CC(C)O[C@H](C)C2)c(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)11-5-4-10(16-3)12(14)13(11)15/h4-5,8-9,16H,6-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyBJXZTKPILLWNLJ-VEDVMXKPSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline?
The IUPAC name of 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline (CID 70839117) is 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline.
What is the SMILES notation for 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline?
The canonical SMILES for 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline is CNc1ccc(N2CC(C)O[C@H](C)C2)c(F)c1F.
What is the InChIKey of 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline?
The InChIKey is BJXZTKPILLWNLJ-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-6-17(7-9(2)18-8)11-5-4-10(16-3)12(14)13(11)15/h4-5,8-9,16H,6-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline?
4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline has a molecular weight of 256.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline is sourced from PubChem (CID 70839117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).