2-(chloromethyl)-4-hexyl-5-methylmorpholine

C12H24ClNO — CID 81209823

IUPAC2-(chloromethyl)-4-hexyl-5-methylmorpholine
SMILESCCCCCCN1CC(CCl)OCC1C
InChIInChI=1S/C12H24ClNO/c1-3-4-5-6-7-14-9-12(8-13)15-10-11(14)2/h11-12H,3-10H2,1-2H3
InChIKeyBEOOBEGGZRZUCQ-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds6

About 2-(chloromethyl)-4-hexyl-5-methylmorpholine

2-(chloromethyl)-4-hexyl-5-methylmorpholine (PubChem CID 81209823) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-hexyl-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-hexyl-5-methylmorpholine
PubChem CID81209823
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-(chloromethyl)-4-hexyl-5-methylmorpholine
SMILESCCCCCCN1CC(CCl)OCC1C
InChIInChI=1S/C12H24ClNO/c1-3-4-5-6-7-14-9-12(8-13)15-10-11(14)2/h11-12H,3-10H2,1-2H3
InChIKeyBEOOBEGGZRZUCQ-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-hexyl-5-methylmorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-hexyl-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-hexyl-5-methylmorpholine (CID 81209823) is 2-(chloromethyl)-4-hexyl-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-hexyl-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-hexyl-5-methylmorpholine is CCCCCCN1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-4-hexyl-5-methylmorpholine?
The InChIKey is BEOOBEGGZRZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-4-5-6-7-14-9-12(8-13)15-10-11(14)2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-hexyl-5-methylmorpholine?
2-(chloromethyl)-4-hexyl-5-methylmorpholine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-hexyl-5-methylmorpholine is sourced from PubChem (CID 81209823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).