1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone

C16H22BrNO2 — CID 102937921

IUPAC1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CC(C)OC(CBr)C2)c1
InChIInChI=1S/C16H22BrNO2/c1-11-4-5-12(2)14(6-11)7-16(19)18-9-13(3)20-15(8-17)10-18/h4-6,13,15H,7-10H2,1-3H3
InChIKeyLJGBKVSBFNSRTP-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.86
Rot. Bonds3

About 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone

1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone (PubChem CID 102937921) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
PubChem CID102937921
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CC(C)OC(CBr)C2)c1
InChIInChI=1S/C16H22BrNO2/c1-11-4-5-12(2)14(6-11)7-16(19)18-9-13(3)20-15(8-17)10-18/h4-6,13,15H,7-10H2,1-3H3
InChIKeyLJGBKVSBFNSRTP-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.86
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-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
1-[2-(2,5-dimethylphenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722057
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
1-(3-amino-4-cyclopropylpyrrolidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 156604862
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
1-(3-chloropiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63392909
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone (CID 102937921) is 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)N2CC(C)OC(CBr)C2)c1.
What is the InChIKey of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is LJGBKVSBFNSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11-4-5-12(2)14(6-11)7-16(19)18-9-13(3)20-15(8-17)10-18/h4-6,13,15H,7-10H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone?
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 340.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 102937921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).