2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine

C11H22ClNO2 — CID 102936556

IUPAC2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
SMILESCOCCCCN1CC(C)OC(CCl)C1
InChIInChI=1S/C11H22ClNO2/c1-10-8-13(5-3-4-6-14-2)9-11(7-12)15-10/h10-11H,3-9H2,1-2H3
InChIKeyKNFVWFGOVFGALS-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.74
Rot. Bonds6

About 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine

2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine (PubChem CID 102936556) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
PubChem CID102936556
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
SMILESCOCCCCN1CC(C)OC(CCl)C1
InChIInChI=1S/C11H22ClNO2/c1-10-8-13(5-3-4-6-14-2)9-11(7-12)15-10/h10-11H,3-9H2,1-2H3
InChIKeyKNFVWFGOVFGALS-UHFFFAOYSA-N
XLogP1.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.74
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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Related Compounds

2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
2-(chloromethyl)-6-methyl-4-(2-propan-2-yloxyethyl)morpholine
CID 102936700
[4-[2-(3-methoxypropoxy)ethyl]-6-methylmorpholin-2-yl]methanamine
CID 103184117
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
CID 102936701
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914043
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
[(2S,6S)-4-(5-fluoropentyl)-6-methylmorpholin-2-yl]methanol
CID 124842414
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]ethanol
CID 102934999
1-(4-methoxybutyl)azetidin-3-ol
CID 115773115

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine (CID 102936556) is 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine is COCCCCN1CC(C)OC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine?
The InChIKey is KNFVWFGOVFGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-10-8-13(5-3-4-6-14-2)9-11(7-12)15-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine?
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine has a molecular weight of 235.75 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine is sourced from PubChem (CID 102936556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).