2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone

C18H20BrNO3 — CID 2961654

IUPAC2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc3ccccc3c2Br)CC(C)O1
InChIInChI=1S/C18H20BrNO3/c1-12-9-20(10-13(2)23-12)17(21)11-22-16-8-7-14-5-3-4-6-15(14)18(16)19/h3-8,12-13H,9-11H2,1-2H3
InChIKeyFEPLLSNFNPPBPM-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.62
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 2961654) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID2961654
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COc2ccc3ccccc3c2Br)CC(C)O1
InChIInChI=1S/C18H20BrNO3/c1-12-9-20(10-13(2)23-12)17(21)11-22-16-8-7-14-5-3-4-6-15(14)18(16)19/h3-8,12-13H,9-11H2,1-2H3
InChIKeyFEPLLSNFNPPBPM-UHFFFAOYSA-N
XLogP3.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 2961654) is 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)COc2ccc3ccccc3c2Br)CC(C)O1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is FEPLLSNFNPPBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12-9-20(10-13(2)23-12)17(21)11-22-16-8-7-14-5-3-4-6-15(14)18(16)19/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 378.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 2961654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).