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

C13H20N2O3 — CID 79169666

IUPACethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1ccc(C)nc1CC(C)N
InChIInChI=1S/C13H20N2O3/c1-4-17-13(16)8-18-12-6-5-10(3)15-11(12)7-9(2)14/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeySZTAPXGVKJUIBM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.22
Rot. Bonds6

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

ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate (PubChem CID 79169666) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
PubChem CID79169666
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1ccc(C)nc1CC(C)N
InChIInChI=1S/C13H20N2O3/c1-4-17-13(16)8-18-12-6-5-10(3)15-11(12)7-9(2)14/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeySZTAPXGVKJUIBM-UHFFFAOYSA-N
XLogP1.22
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]butanoate
CID 79168999
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate (CID 79169666) is ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate is CCOC(=O)COc1ccc(C)nc1CC(C)N.
What is the InChIKey of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate?
The InChIKey is SZTAPXGVKJUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-17-13(16)8-18-12-6-5-10(3)15-11(12)7-9(2)14/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate?
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 79169666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).