2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine

C12H24ClNO — CID 102936587

IUPAC2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CC(C)OC(CCl)C1
InChIInChI=1S/C12H24ClNO/c1-10(2)5-4-6-14-8-11(3)15-12(7-13)9-14/h10-12H,4-9H2,1-3H3
InChIKeyUMIOUFVTEWQRHE-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.75
Rot. Bonds5

About 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine

2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine (PubChem CID 102936587) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
PubChem CID102936587
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CC(C)OC(CCl)C1
InChIInChI=1S/C12H24ClNO/c1-10(2)5-4-6-14-8-11(3)15-12(7-13)9-14/h10-12H,4-9H2,1-3H3
InChIKeyUMIOUFVTEWQRHE-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-6-methyl-4-(3-methylbutyl)morpholine
CID 102936623
2-(chloromethyl)-6-methyl-4-(2-propan-2-yloxyethyl)morpholine
CID 102936700
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
CID 102936701
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
(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
CID 145194084
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
2-(bromomethyl)-4-butyl-6-methylmorpholine
CID 102936811
[(2S,6S)-4-(5-fluoropentyl)-6-methylmorpholin-2-yl]methanol
CID 124842414
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine?
The IUPAC name of 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine (CID 102936587) is 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine is CC(C)CCCN1CC(C)OC(CCl)C1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine?
The InChIKey is UMIOUFVTEWQRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(2)5-4-6-14-8-11(3)15-12(7-13)9-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine?
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine has a molecular weight of 233.78 g/mol, XLogP of 2.75, 5 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-(4-methylpentyl)morpholine is sourced from PubChem (CID 102936587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).