2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine

C11H22ClNO — CID 102936623

IUPAC2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
SMILESCC(C)CCN1CC(C)OC(CCl)C1
InChIInChI=1S/C11H22ClNO/c1-9(2)4-5-13-7-10(3)14-11(6-12)8-13/h9-11H,4-8H2,1-3H3
InChIKeyJTTFUTPVCHPVMX-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.36
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine

2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine (PubChem CID 102936623) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
PubChem CID102936623
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
SMILESCC(C)CCN1CC(C)OC(CCl)C1
InChIInChI=1S/C11H22ClNO/c1-9(2)4-5-13-7-10(3)14-11(6-12)8-13/h9-11H,4-8H2,1-3H3
InChIKeyJTTFUTPVCHPVMX-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
CID 102936701
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914043
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine
CID 104960003
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
2-(iodomethyl)-6-methyl-4-(2-methylpropyl)morpholine
CID 129095828

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine (CID 102936623) is 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine is CC(C)CCN1CC(C)OC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine?
The InChIKey is JTTFUTPVCHPVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(2)4-5-13-7-10(3)14-11(6-12)8-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine?
2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine has a molecular weight of 219.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine is sourced from PubChem (CID 102936623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).