4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine

C13H26BrNO — CID 64998540

IUPAC4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine
SMILESCCC(CC)(CBr)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H26BrNO/c1-5-13(6-2,9-14)10-15-7-11(3)16-12(4)8-15/h11-12H,5-10H2,1-4H3
InChIKeyHTYJZTAHBUMTHQ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.30
Rot. Bonds5

About 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine

4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine (PubChem CID 64998540) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine
PubChem CID64998540
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine
SMILESCCC(CC)(CBr)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H26BrNO/c1-5-13(6-2,9-14)10-15-7-11(3)16-12(4)8-15/h11-12H,5-10H2,1-4H3
InChIKeyHTYJZTAHBUMTHQ-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine (CID 64998540) is 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine is CCC(CC)(CBr)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine?
The InChIKey is HTYJZTAHBUMTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-5-13(6-2,9-14)10-15-7-11(3)16-12(4)8-15/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine?
4-[2-(bromomethyl)-2-ethylbutyl]-2,6-dimethylmorpholine has a molecular weight of 292.26 g/mol, XLogP of 3.30, 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]-2,6-dimethylmorpholine is sourced from PubChem (CID 64998540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).