5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline

C13H19FN2O2 — CID 114415689

IUPAC5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
SMILESCc1cc(OCC2CN(C)CCO2)c(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-9-5-13(11(14)6-12(9)15)18-8-10-7-16(2)3-4-17-10/h5-6,10H,3-4,7-8,15H2,1-2H3
InChIKeyVYYGQHVOVSPLKX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.43
Rot. Bonds3

About 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline

5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline (PubChem CID 114415689) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
PubChem CID114415689
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
SMILESCc1cc(OCC2CN(C)CCO2)c(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-9-5-13(11(14)6-12(9)15)18-8-10-7-16(2)3-4-17-10/h5-6,10H,3-4,7-8,15H2,1-2H3
InChIKeyVYYGQHVOVSPLKX-UHFFFAOYSA-N
XLogP1.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687677
4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 107656463
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline?
The IUPAC name of 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline (CID 114415689) is 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline is Cc1cc(OCC2CN(C)CCO2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline?
The InChIKey is VYYGQHVOVSPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-5-13(11(14)6-12(9)15)18-8-10-7-16(2)3-4-17-10/h5-6,10H,3-4,7-8,15H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline?
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline has a molecular weight of 254.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline is sourced from PubChem (CID 114415689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).