2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

C14H21FN2O — CID 102742805

IUPAC2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2cccc(F)c2N)CC(C)(C)O1
InChIInChI=1S/C14H21FN2O/c1-13(2)8-17(9-14(3,4)18-13)11-7-5-6-10(15)12(11)16/h5-7H,8-9,16H2,1-4H3
InChIKeyMXTVMDLJDVZJOS-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.80
Rot. Bonds1

About 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (PubChem CID 102742805) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
PubChem CID102742805
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2cccc(F)c2N)CC(C)(C)O1
InChIInChI=1S/C14H21FN2O/c1-13(2)8-17(9-14(3,4)18-13)11-7-5-6-10(15)12(11)16/h5-7H,8-9,16H2,1-4H3
InChIKeyMXTVMDLJDVZJOS-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The IUPAC name of 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (CID 102742805) is 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The canonical SMILES for 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is CC1(C)CN(c2cccc(F)c2N)CC(C)(C)O1.
What is the InChIKey of 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The InChIKey is MXTVMDLJDVZJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-13(2)8-17(9-14(3,4)18-13)11-7-5-6-10(15)12(11)16/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline has a molecular weight of 252.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is sourced from PubChem (CID 102742805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).