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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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 171774754
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939615
N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630011
(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine
CID 59546197
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile
CID 107934248
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarbothioamide
CID 107935325
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
CID 141266263
(2S,6R)-4-(2-cyclopropylphenyl)-2,6-dimethylmorpholine
CID 126517774
(3S,5R)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoroanilino]-5-methyloxolan-2-one
CID 129424006
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-N-ethylethanamine
CID 104959064
(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
CID 129268317
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)-2-fluoro-3-methylanilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939169

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).