2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride

C13H23ClN2O — CID 3057785

IUPAC2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCOc1cc(C)cc(C)n1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-5-15(6-2)7-8-16-13-10-11(3)9-12(4)14-13;/h9-10H,5-8H2,1-4H3;1H
InChIKeyFELPBDWCRXDVJV-UHFFFAOYSA-N
MW258.79 g/mol
LogP2.84
Rot. Bonds6

About 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride

2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride (PubChem CID 3057785) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride
PubChem CID3057785
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCOc1cc(C)cc(C)n1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-5-15(6-2)7-8-16-13-10-11(3)9-12(4)14-13;/h9-10H,5-8H2,1-4H3;1H
InChIKeyFELPBDWCRXDVJV-UHFFFAOYSA-N
XLogP2.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-N-ethyl-N-phenylacetamide
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5-Ethyl-4,6-dimethyl-2-methoxy pyridine
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US11072585, Example 41
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CID 4738465

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride (CID 3057785) is 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride is CCN(CC)CCOc1cc(C)cc(C)n1.Cl.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride?
The InChIKey is FELPBDWCRXDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-5-15(6-2)7-8-16-13-10-11(3)9-12(4)14-13;/h9-10H,5-8H2,1-4H3;1H.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride?
2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)oxy]-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 3057785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).