4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine

C15H23ClN2O — CID 113380680

IUPAC4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCc1cc(CCl)cc(N2CC(C)OCC2CC)n1
InChIInChI=1S/C15H23ClN2O/c1-4-13-6-12(8-16)7-15(17-13)18-9-11(3)19-10-14(18)5-2/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyZSDCUKNJPDOWPX-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.39
Rot. Bonds4

About 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine

4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine (PubChem CID 113380680) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
PubChem CID113380680
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
SMILESCCc1cc(CCl)cc(N2CC(C)OCC2CC)n1
InChIInChI=1S/C15H23ClN2O/c1-4-13-6-12(8-16)7-15(17-13)18-9-11(3)19-10-14(18)5-2/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyZSDCUKNJPDOWPX-UHFFFAOYSA-N
XLogP3.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 62254121
6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 80653171
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 55059279
4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80795705
4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2-methyl-1,4-oxazepane
CID 113380721
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 61424002
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
1-[5-(5-ethyl-2-methylmorpholin-4-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379770
[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567020
3,5-dichloro-6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 102756606
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine (CID 113380680) is 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine is CCc1cc(CCl)cc(N2CC(C)OCC2CC)n1.
What is the InChIKey of 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
The InChIKey is ZSDCUKNJPDOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-13-6-12(8-16)7-15(17-13)18-9-11(3)19-10-14(18)5-2/h6-7,11,14H,4-5,8-10H2,1-3H3.
What are the key properties of 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine?
4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine has a molecular weight of 282.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 113380680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).