1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone

C15H20ClNO3 — CID 81212369

IUPAC1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(CCl)OCC1C
InChIInChI=1S/C15H20ClNO3/c1-11-10-20-13(8-16)9-17(11)15(18)7-12-5-3-4-6-14(12)19-2/h3-6,11,13H,7-10H2,1-2H3
InChIKeyOLLQPKHHANKAGU-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone

1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 81212369) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID81212369
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(CCl)OCC1C
InChIInChI=1S/C15H20ClNO3/c1-11-10-20-13(8-16)9-17(11)15(18)7-12-5-3-4-6-14(12)19-2/h3-6,11,13H,7-10H2,1-2H3
InChIKeyOLLQPKHHANKAGU-UHFFFAOYSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211316
2-(2,3-dichlorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741603
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 81212458
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196288
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-methylbutan-1-one
CID 81211802
2-(2-methoxyphenyl)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740561
2-(2-chloro-4-fluorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703392
2-(2-chloro-4-fluorophenyl)-1-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703393
2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81207945
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-3-cyclopentylpropan-1-one
CID 81212550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone (CID 81212369) is 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CC(CCl)OCC1C.
What is the InChIKey of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is OLLQPKHHANKAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11-10-20-13(8-16)9-17(11)15(18)7-12-5-3-4-6-14(12)19-2/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone?
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 81212369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).