4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride

C8H17Cl2NO — CID 12955539

IUPAC4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride
SMILESCC1CN(CCCl)CC(C)O1.Cl
InChIInChI=1S/C8H16ClNO.ClH/c1-7-5-10(4-3-9)6-8(2)11-7;/h7-8H,3-6H2,1-2H3;1H
InChIKeyRLDMNOHCFWSJCI-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.76
Rot. Bonds2

About 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride

4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride (PubChem CID 12955539) has the molecular formula C8H17Cl2NO and a molecular weight of 214.14 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride
PubChem CID12955539
Molecular FormulaC8H17Cl2NO
Molecular Weight214.14 g/mol
Exact Mass213.07
IUPAC Name4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride
SMILESCC1CN(CCCl)CC(C)O1.Cl
InChIInChI=1S/C8H16ClNO.ClH/c1-7-5-10(4-3-9)6-8(2)11-7;/h7-8H,3-6H2,1-2H3;1H
InChIKeyRLDMNOHCFWSJCI-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride 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 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride?
The IUPAC name of 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride (CID 12955539) is 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride?
The canonical SMILES for 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride is CC1CN(CCCl)CC(C)O1.Cl.
What is the InChIKey of 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride?
The InChIKey is RLDMNOHCFWSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO.ClH/c1-7-5-10(4-3-9)6-8(2)11-7;/h7-8H,3-6H2,1-2H3;1H.
What are the key properties of 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride?
4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride has a molecular weight of 214.14 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2,6-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 12955539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).