ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate

C13H17NO4 — CID 63094984

IUPACethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)OCC2NC
InChIInChI=1S/C13H17NO4/c1-3-16-13(15)8-17-9-4-5-10-11(14-2)7-18-12(10)6-9/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyBCACQXTZRHKFIB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.28
Rot. Bonds5

About ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate

ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate (PubChem CID 63094984) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
PubChem CID63094984
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)OCC2NC
InChIInChI=1S/C13H17NO4/c1-3-16-13(15)8-17-9-4-5-10-11(14-2)7-18-12(10)6-9/h4-6,11,14H,3,7-8H2,1-2H3
InChIKeyBCACQXTZRHKFIB-UHFFFAOYSA-N
XLogP1.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate with MolForge

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Related Compounds

ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 66044717
2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-pentan-3-ylacetamide
CID 63095853
N-cyclopentyl-2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 63096038
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
CID 113398857
N-methyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 115981802
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094976
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 114524835
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate (CID 63094984) is ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate is CCOC(=O)COc1ccc2c(c1)OCC2NC.
What is the InChIKey of ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate?
The InChIKey is BCACQXTZRHKFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-16-13(15)8-17-9-4-5-10-11(14-2)7-18-12(10)6-9/h4-6,11,14H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate?
ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate has a molecular weight of 251.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate is sourced from PubChem (CID 63094984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).