[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone

C16H22BrNO3 — CID 114781680

IUPAC[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(CBr)OC(C)(C)C2)cc1
InChIInChI=1S/C16H22BrNO3/c1-4-20-13-7-5-12(6-8-13)15(19)18-10-14(9-17)21-16(2,3)11-18/h5-8,14H,4,9-11H2,1-3H3
InChIKeyKNGNUQIEUODLIM-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.10
Rot. Bonds4

About [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone

[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone (PubChem CID 114781680) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone
PubChem CID114781680
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(CBr)OC(C)(C)C2)cc1
InChIInChI=1S/C16H22BrNO3/c1-4-20-13-7-5-12(6-8-13)15(19)18-10-14(9-17)21-16(2,3)11-18/h5-8,14H,4,9-11H2,1-3H3
InChIKeyKNGNUQIEUODLIM-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.10
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

[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3,4-dimethylphenyl)methanone
CID 114781527
(3-bromo-4-fluorophenyl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107956876
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-ethylthiophen-2-yl)methanone
CID 114781702
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114781585
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 114781494
(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781615
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-thiophen-2-ylmethanone
CID 114781574
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639
(5-bromo-2-chlorophenyl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781649

Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone (CID 114781680) is [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CC(CBr)OC(C)(C)C2)cc1.
What is the InChIKey of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is KNGNUQIEUODLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-4-20-13-7-5-12(6-8-13)15(19)18-10-14(9-17)21-16(2,3)11-18/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone?
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 356.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 114781680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).