2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine

C12H24ClNO2 — CID 106457788

IUPAC2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine
SMILESCC(C)COCCN1CC(CCl)OCC1C
InChIInChI=1S/C12H24ClNO2/c1-10(2)8-15-5-4-14-7-12(6-13)16-9-11(14)3/h10-12H,4-9H2,1-3H3
InChIKeyDGJHBLAXUWDKND-UHFFFAOYSA-N
MW249.78 g/mol
LogP1.99
Rot. Bonds6

About 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine

2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine (PubChem CID 106457788) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine
PubChem CID106457788
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine
SMILESCC(C)COCCN1CC(CCl)OCC1C
InChIInChI=1S/C12H24ClNO2/c1-10(2)8-15-5-4-14-7-12(6-13)16-9-11(14)3/h10-12H,4-9H2,1-3H3
InChIKeyDGJHBLAXUWDKND-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine (CID 106457788) is 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine is CC(C)COCCN1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine?
The InChIKey is DGJHBLAXUWDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c1-10(2)8-15-5-4-14-7-12(6-13)16-9-11(14)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine?
2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine has a molecular weight of 249.78 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-[2-(2-methylpropoxy)ethyl]morpholine is sourced from PubChem (CID 106457788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).