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

C14H22N2O3 — CID 79150917

IUPACethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
SMILESCCCNCc1nc(C)ccc1OCC(=O)OCC
InChIInChI=1S/C14H22N2O3/c1-4-8-15-9-12-13(7-6-11(3)16-12)19-10-14(17)18-5-2/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyRTKGAFOOMOVQFJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds8

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

ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate (PubChem CID 79150917) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
PubChem CID79150917
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
SMILESCCCNCc1nc(C)ccc1OCC(=O)OCC
InChIInChI=1S/C14H22N2O3/c1-4-8-15-9-12-13(7-6-11(3)16-12)19-10-14(17)18-5-2/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyRTKGAFOOMOVQFJ-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide
CID 79151448
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
methyl 2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151411
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate (CID 79150917) is ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate is CCCNCc1nc(C)ccc1OCC(=O)OCC.
What is the InChIKey of ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate?
The InChIKey is RTKGAFOOMOVQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-8-15-9-12-13(7-6-11(3)16-12)19-10-14(17)18-5-2/h6-7,15H,4-5,8-10H2,1-3H3.
What are the key properties of ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate?
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate has a molecular weight of 266.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 79150917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).