4-(2-bromoethyl)-2,6-dimethylmorpholine

C8H16BrNO — CID 53417644

IUPAC4-(2-bromoethyl)-2,6-dimethylmorpholine
SMILESCC1CN(CCBr)CC(C)O1
InChIInChI=1S/C8H16BrNO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3
InChIKeyFZUMZQZVVFIUOM-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.49
Rot. Bonds2

About 4-(2-bromoethyl)-2,6-dimethylmorpholine

4-(2-bromoethyl)-2,6-dimethylmorpholine (PubChem CID 53417644) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-bromoethyl)-2,6-dimethylmorpholine
PubChem CID53417644
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name4-(2-bromoethyl)-2,6-dimethylmorpholine
SMILESCC1CN(CCBr)CC(C)O1
InChIInChI=1S/C8H16BrNO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3
InChIKeyFZUMZQZVVFIUOM-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-bromoethyl)-2,6-dimethylmorpholine (CID 53417644) is 4-(2-bromoethyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-bromoethyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-bromoethyl)-2,6-dimethylmorpholine is CC1CN(CCBr)CC(C)O1.
What is the InChIKey of 4-(2-bromoethyl)-2,6-dimethylmorpholine?
The InChIKey is FZUMZQZVVFIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-bromoethyl)-2,6-dimethylmorpholine?
4-(2-bromoethyl)-2,6-dimethylmorpholine has a molecular weight of 222.13 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 53417644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).