4-(2-bromoethyl)-2-methylmorpholine;hydrobromide

C7H15Br2NO — CID 75481844

IUPAC4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
SMILESBr.CC1CN(CCBr)CCO1
InChIInChI=1S/C7H14BrNO.BrH/c1-7-6-9(3-2-8)4-5-10-7;/h7H,2-6H2,1H3;1H
InChIKeyJWGFLFPZLWKILE-UHFFFAOYSA-N
MW289.01 g/mol
LogP1.68
Rot. Bonds2

About 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide

4-(2-bromoethyl)-2-methylmorpholine;hydrobromide (PubChem CID 75481844) has the molecular formula C7H15Br2NO and a molecular weight of 289.01 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide.

Molecular Properties

Compound Name4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
PubChem CID75481844
Molecular FormulaC7H15Br2NO
Molecular Weight289.01 g/mol
Exact Mass286.95
IUPAC Name4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
SMILESBr.CC1CN(CCBr)CCO1
InChIInChI=1S/C7H14BrNO.BrH/c1-7-6-9(3-2-8)4-5-10-7;/h7H,2-6H2,1H3;1H
InChIKeyJWGFLFPZLWKILE-UHFFFAOYSA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.01
LogP ≤ 51.68
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-methylmorpholine;hydrobromide?
The IUPAC name of 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide (CID 75481844) is 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide.
What is the SMILES notation for 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide?
The canonical SMILES for 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide is Br.CC1CN(CCBr)CCO1.
What is the InChIKey of 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide?
The InChIKey is JWGFLFPZLWKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO.BrH/c1-7-6-9(3-2-8)4-5-10-7;/h7H,2-6H2,1H3;1H.
What are the key properties of 4-(2-bromoethyl)-2-methylmorpholine;hydrobromide?
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide has a molecular weight of 289.01 g/mol, XLogP of 1.68, 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-methylmorpholine;hydrobromide is sourced from PubChem (CID 75481844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).