2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine

C12H15ClFNO2 — CID 114264381

IUPAC2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
SMILESCN1CCOC(COc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H15ClFNO2/c1-15-4-5-16-10(7-15)8-17-12-6-9(14)2-3-11(12)13/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyJCGGLUUYGNVVHO-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.19
Rot. Bonds3

About 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine

2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine (PubChem CID 114264381) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
PubChem CID114264381
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
SMILESCN1CCOC(COc2cc(F)ccc2Cl)C1
InChIInChI=1S/C12H15ClFNO2/c1-15-4-5-16-10(7-15)8-17-12-6-9(14)2-3-11(12)13/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyJCGGLUUYGNVVHO-UHFFFAOYSA-N
XLogP2.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79164229
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
3-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79172491
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine (CID 114264381) is 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine is CN1CCOC(COc2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine?
The InChIKey is JCGGLUUYGNVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-15-4-5-16-10(7-15)8-17-12-6-9(14)2-3-11(12)13/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine?
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine has a molecular weight of 259.71 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine is sourced from PubChem (CID 114264381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).