ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate

C13H20N2O3 — CID 79151521

IUPACethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
SMILESCCNCc1nc(C)ccc1OCC(=O)OCC
InChIInChI=1S/C13H20N2O3/c1-4-14-8-11-12(7-6-10(3)15-11)18-9-13(16)17-5-2/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyJBNOHHCJMNMPMB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.44
Rot. Bonds7

About ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate

ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate (PubChem CID 79151521) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
PubChem CID79151521
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
SMILESCCNCc1nc(C)ccc1OCC(=O)OCC
InChIInChI=1S/C13H20N2O3/c1-4-14-8-11-12(7-6-10(3)15-11)18-9-13(16)17-5-2/h6-7,14H,4-5,8-9H2,1-3H3
InChIKeyJBNOHHCJMNMPMB-UHFFFAOYSA-N
XLogP1.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79150987
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
N-carbamoyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79150653
ethyl 2-[2-bromo-4-(ethylaminomethyl)phenoxy]acetate
CID 63047063
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
propan-2-yl 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]acetate
CID 79157755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate (CID 79151521) is ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate is CCNCc1nc(C)ccc1OCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate?
The InChIKey is JBNOHHCJMNMPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-14-8-11-12(7-6-10(3)15-11)18-9-13(16)17-5-2/h6-7,14H,4-5,8-9H2,1-3H3.
What are the key properties of ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate?
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 79151521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).