4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine

C12H24BrNO — CID 65011894

IUPAC4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CBr)C(C)C)CC(C)O1
InChIInChI=1S/C12H24BrNO/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8H2,1-4H3
InChIKeyMEITUSMBDSRNSL-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.76
Rot. Bonds4

About 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine

4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine (PubChem CID 65011894) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
PubChem CID65011894
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CBr)C(C)C)CC(C)O1
InChIInChI=1S/C12H24BrNO/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8H2,1-4H3
InChIKeyMEITUSMBDSRNSL-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(bromomethyl)-3-methylbutyl]-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)-3-methylbutyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine (CID 65011894) is 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine is CC1CN(CC(CBr)C(C)C)CC(C)O1.
What is the InChIKey of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
The InChIKey is MEITUSMBDSRNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine has a molecular weight of 278.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 65011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).