2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine

C9H18ClNO2 — CID 81210752

IUPAC2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
SMILESCOCCN1CC(CCl)OCC1C
InChIInChI=1S/C9H18ClNO2/c1-8-7-13-9(5-10)6-11(8)3-4-12-2/h8-9H,3-7H2,1-2H3
InChIKeyHRXFVPLSORCASM-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.96
Rot. Bonds4

About 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine

2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine (PubChem CID 81210752) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
PubChem CID81210752
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
SMILESCOCCN1CC(CCl)OCC1C
InChIInChI=1S/C9H18ClNO2/c1-8-7-13-9(5-10)6-11(8)3-4-12-2/h8-9H,3-7H2,1-2H3
InChIKeyHRXFVPLSORCASM-UHFFFAOYSA-N
XLogP0.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine (CID 81210752) is 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine is COCCN1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine?
The InChIKey is HRXFVPLSORCASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8-7-13-9(5-10)6-11(8)3-4-12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine?
2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine has a molecular weight of 207.70 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine is sourced from PubChem (CID 81210752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).