2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine

C12H19ClN2O — CID 61268983

IUPAC2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(CCl)ccn1
InChIInChI=1S/C12H19ClN2O/c1-3-15(4-2)7-8-16-12-9-11(10-13)5-6-14-12/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyWGXZEQUMHQJGIF-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.54
Rot. Bonds7

About 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine

2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine (PubChem CID 61268983) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
PubChem CID61268983
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cc(CCl)ccn1
InChIInChI=1S/C12H19ClN2O/c1-3-15(4-2)7-8-16-12-9-11(10-13)5-6-14-12/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyWGXZEQUMHQJGIF-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

3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544
N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62296826
2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268981
4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268408
4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112588535
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
(2-propoxy-4-pyridinyl)methanol
CID 61256143
[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
CID 102740402
4-(chloromethyl)-2-methylpyridine
CID 12675262
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine (CID 61268983) is 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1cc(CCl)ccn1.
What is the InChIKey of 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
The InChIKey is WGXZEQUMHQJGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-15(4-2)7-8-16-12-9-11(10-13)5-6-14-12/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine?
2-[[4-(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-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 61268983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).