2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine

C12H24ClNO — CID 102936701

IUPAC2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
SMILESCC1CN(CCC(C)(C)C)CC(CCl)O1
InChIInChI=1S/C12H24ClNO/c1-10-8-14(6-5-12(2,3)4)9-11(7-13)15-10/h10-11H,5-9H2,1-4H3
InChIKeyGVNGQMFBSBHXQI-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.75
Rot. Bonds3

About 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine

2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine (PubChem CID 102936701) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
PubChem CID102936701
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
SMILESCC1CN(CCC(C)(C)C)CC(CCl)O1
InChIInChI=1S/C12H24ClNO/c1-10-8-14(6-5-12(2,3)4)9-11(7-13)15-10/h10-11H,5-9H2,1-4H3
InChIKeyGVNGQMFBSBHXQI-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.75
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-(3-methylbutyl)morpholine
CID 102936623
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914043
2-(chloromethyl)-6-methyl-4-(2-propan-2-yloxyethyl)morpholine
CID 102936700
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 55085604
(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
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpropan-2-ol
CID 102934996

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine (CID 102936701) is 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine is CC1CN(CCC(C)(C)C)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine?
The InChIKey is GVNGQMFBSBHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10-8-14(6-5-12(2,3)4)9-11(7-13)15-10/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine?
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine has a molecular weight of 233.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine is sourced from PubChem (CID 102936701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).