1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone

C15H20ClNO2 — CID 81210812

IUPAC1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCOC(CCl)C2)c1
InChIInChI=1S/C15H20ClNO2/c1-11-3-4-12(2)13(7-11)8-15(18)17-5-6-19-14(9-16)10-17/h3-4,7,14H,5-6,8-10H2,1-2H3
InChIKeyUONBYFSXCDGVDW-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone

1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone (PubChem CID 81210812) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
PubChem CID81210812
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCOC(CCl)C2)c1
InChIInChI=1S/C15H20ClNO2/c1-11-3-4-12(2)13(7-11)8-15(18)17-5-6-19-14(9-16)10-17/h3-4,7,14H,5-6,8-10H2,1-2H3
InChIKeyUONBYFSXCDGVDW-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
1-(3-chloropiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63392909
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
1-[2-(2,5-dimethylphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722057
1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 102937921
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 106838819

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone (CID 81210812) is 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)N2CCOC(CCl)C2)c1.
What is the InChIKey of 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is UONBYFSXCDGVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-3-4-12(2)13(7-11)8-15(18)17-5-6-19-14(9-16)10-17/h3-4,7,14H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 81210812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).