4-(2-chloroethyl)-2,5-dimethylmorpholine

C8H16ClNO — CID 61287953

IUPAC4-(2-chloroethyl)-2,5-dimethylmorpholine
SMILESCC1CN(CCCl)C(C)CO1
InChIInChI=1S/C8H16ClNO/c1-7-6-11-8(2)5-10(7)4-3-9/h7-8H,3-6H2,1-2H3
InChIKeyOMDLZZHCMHDBKO-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.33
Rot. Bonds2

About 4-(2-chloroethyl)-2,5-dimethylmorpholine

4-(2-chloroethyl)-2,5-dimethylmorpholine (PubChem CID 61287953) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-chloroethyl)-2,5-dimethylmorpholine
PubChem CID61287953
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(2-chloroethyl)-2,5-dimethylmorpholine
SMILESCC1CN(CCCl)C(C)CO1
InChIInChI=1S/C8H16ClNO/c1-7-6-11-8(2)5-10(7)4-3-9/h7-8H,3-6H2,1-2H3
InChIKeyOMDLZZHCMHDBKO-UHFFFAOYSA-N
XLogP1.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(2-chloroethyl)-2,5-dimethylmorpholine (CID 61287953) is 4-(2-chloroethyl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(2-chloroethyl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(2-chloroethyl)-2,5-dimethylmorpholine is CC1CN(CCCl)C(C)CO1.
What is the InChIKey of 4-(2-chloroethyl)-2,5-dimethylmorpholine?
The InChIKey is OMDLZZHCMHDBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7-6-11-8(2)5-10(7)4-3-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-chloroethyl)-2,5-dimethylmorpholine?
4-(2-chloroethyl)-2,5-dimethylmorpholine has a molecular weight of 177.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2,5-dimethylmorpholine is sourced from PubChem (CID 61287953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).