ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate

C14H19NO3 — CID 107683229

IUPACethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)CCC2NC
InChIInChI=1S/C14H19NO3/c1-3-17-14(16)9-18-11-5-6-12-10(8-11)4-7-13(12)15-2/h5-6,8,13,15H,3-4,7,9H2,1-2H3
InChIKeyILJPIXBYJBWWCC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds5

About ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate

ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate (PubChem CID 107683229) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
PubChem CID107683229
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)CCC2NC
InChIInChI=1S/C14H19NO3/c1-3-17-14(16)9-18-11-5-6-12-10(8-11)4-7-13(12)15-2/h5-6,8,13,15H,3-4,7,9H2,1-2H3
InChIKeyILJPIXBYJBWWCC-UHFFFAOYSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683871
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
CID 107683257
N,N-dimethyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107683897
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
6-(2,3-dichloroprop-2-enoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79167134
ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
CID 167218753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate (CID 107683229) is ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate is CCOC(=O)COc1ccc2c(c1)CCC2NC.
What is the InChIKey of ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The InChIKey is ILJPIXBYJBWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-17-14(16)9-18-11-5-6-12-10(8-11)4-7-13(12)15-2/h5-6,8,13,15H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate is sourced from PubChem (CID 107683229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).