4-(2-bromoethyl)-2,2,3-trimethylmorpholine

C9H18BrNO — CID 155822238

IUPAC4-(2-bromoethyl)-2,2,3-trimethylmorpholine
SMILESCC1N(CCBr)CCOC1(C)C
InChIInChI=1S/C9H18BrNO/c1-8-9(2,3)12-7-6-11(8)5-4-10/h8H,4-7H2,1-3H3
InChIKeyRYSQZFLEMBJKAF-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.88
Rot. Bonds2

About 4-(2-bromoethyl)-2,2,3-trimethylmorpholine

4-(2-bromoethyl)-2,2,3-trimethylmorpholine (PubChem CID 155822238) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2,2,3-trimethylmorpholine.

Molecular Properties

Compound Name4-(2-bromoethyl)-2,2,3-trimethylmorpholine
PubChem CID155822238
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name4-(2-bromoethyl)-2,2,3-trimethylmorpholine
SMILESCC1N(CCBr)CCOC1(C)C
InChIInChI=1S/C9H18BrNO/c1-8-9(2,3)12-7-6-11(8)5-4-10/h8H,4-7H2,1-3H3
InChIKeyRYSQZFLEMBJKAF-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.88
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)-2,2,3-trimethylmorpholine?
The IUPAC name of 4-(2-bromoethyl)-2,2,3-trimethylmorpholine (CID 155822238) is 4-(2-bromoethyl)-2,2,3-trimethylmorpholine.
What is the SMILES notation for 4-(2-bromoethyl)-2,2,3-trimethylmorpholine?
The canonical SMILES for 4-(2-bromoethyl)-2,2,3-trimethylmorpholine is CC1N(CCBr)CCOC1(C)C.
What is the InChIKey of 4-(2-bromoethyl)-2,2,3-trimethylmorpholine?
The InChIKey is RYSQZFLEMBJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-8-9(2,3)12-7-6-11(8)5-4-10/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-bromoethyl)-2,2,3-trimethylmorpholine?
4-(2-bromoethyl)-2,2,3-trimethylmorpholine has a molecular weight of 236.15 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2,2,3-trimethylmorpholine is sourced from PubChem (CID 155822238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).