2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline

C13H19FN2O2 — CID 63598870

IUPAC2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(N2CC(C)OCC2C)c(N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-8-7-18-9(2)6-16(8)12-5-13(17-3)10(14)4-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyZUABMLXYVKMIDW-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.03
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline

2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline (PubChem CID 63598870) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline
PubChem CID63598870
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(N2CC(C)OCC2C)c(N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-8-7-18-9(2)6-16(8)12-5-13(17-3)10(14)4-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyZUABMLXYVKMIDW-UHFFFAOYSA-N
XLogP2.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline (CID 63598870) is 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline is COc1cc(N2CC(C)OCC2C)c(N)cc1F.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline?
The InChIKey is ZUABMLXYVKMIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8-7-18-9(2)6-16(8)12-5-13(17-3)10(14)4-11(12)15/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline?
2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline has a molecular weight of 254.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63598870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).