4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine

C12H24BrNO — CID 64998592

IUPAC4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine
SMILESCCC(CC)(CBr)CN1CCOC(C)C1
InChIInChI=1S/C12H24BrNO/c1-4-12(5-2,9-13)10-14-6-7-15-11(3)8-14/h11H,4-10H2,1-3H3
InChIKeyOXJQVOVRFLHBTR-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.91
Rot. Bonds5

About 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine

4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine (PubChem CID 64998592) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine
PubChem CID64998592
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine
SMILESCCC(CC)(CBr)CN1CCOC(C)C1
InChIInChI=1S/C12H24BrNO/c1-4-12(5-2,9-13)10-14-6-7-15-11(3)8-14/h11H,4-10H2,1-3H3
InChIKeyOXJQVOVRFLHBTR-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.91
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-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine (CID 64998592) is 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine is CCC(CC)(CBr)CN1CCOC(C)C1.
What is the InChIKey of 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine?
The InChIKey is OXJQVOVRFLHBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-12(5-2,9-13)10-14-6-7-15-11(3)8-14/h11H,4-10H2,1-3H3.
What are the key properties of 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine?
4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine has a molecular weight of 278.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2-ethylbutyl]-2-methylmorpholine is sourced from PubChem (CID 64998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).