2-(bromomethyl)-4-methylmorpholine

C6H12BrNO — CID 70291410

IUPAC2-(bromomethyl)-4-methylmorpholine
SMILESCN1CCOC(CBr)C1
InChIInChI=1S/C6H12BrNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3
InChIKeyLIUWLIFTXFJWQB-UHFFFAOYSA-N
MW194.07 g/mol
LogP0.71
Rot. Bonds1

About 2-(bromomethyl)-4-methylmorpholine

2-(bromomethyl)-4-methylmorpholine (PubChem CID 70291410) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-methylmorpholine
PubChem CID70291410
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name2-(bromomethyl)-4-methylmorpholine
SMILESCN1CCOC(CBr)C1
InChIInChI=1S/C6H12BrNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3
InChIKeyLIUWLIFTXFJWQB-UHFFFAOYSA-N
XLogP0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 50.71
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 2-(bromomethyl)-4-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-methylmorpholine (CID 70291410) is 2-(bromomethyl)-4-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-methylmorpholine is CN1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-methylmorpholine?
The InChIKey is LIUWLIFTXFJWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3.
What are the key properties of 2-(bromomethyl)-4-methylmorpholine?
2-(bromomethyl)-4-methylmorpholine has a molecular weight of 194.07 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methylmorpholine is sourced from PubChem (CID 70291410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).