2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine

C12H19ClN2O — CID 61268981

IUPAC2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(CCl)cn1
InChIInChI=1S/C12H19ClN2O/c1-3-15(4-2)7-8-16-12-6-5-11(9-13)10-14-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyIXPQWCDNZVSARL-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.54
Rot. Bonds7

About 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine

2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine (PubChem CID 61268981) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
PubChem CID61268981
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(CCl)cn1
InChIInChI=1S/C12H19ClN2O/c1-3-15(4-2)7-8-16-12-6-5-11(9-13)10-14-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyIXPQWCDNZVSARL-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.54
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

5-(chloromethyl)-2-ethoxypyridine
CID 10535190
2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268983
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
N,N-diethyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
CID 71304214
propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate;hydrochloride
CID 3058506
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
CID 106203581
ethane;5-ethyl-2-(2-methoxyethoxy)pyridine
CID 144506975
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
CID 68955424
5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine
CID 103489448
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine (CID 61268981) is 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(CCl)cn1.
What is the InChIKey of 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
The InChIKey is IXPQWCDNZVSARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-15(4-2)7-8-16-12-6-5-11(9-13)10-14-12/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine has a molecular weight of 242.75 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 61268981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).