ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate

C14H19NO2 — CID 51076007

IUPACethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)10-15(2)13-9-8-11-6-4-5-7-12(11)13/h4-7,13H,3,8-10H2,1-2H3
InChIKeyNGAUZZFSEGBMCE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds4

About ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate

ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate (PubChem CID 51076007) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
PubChem CID51076007
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-3-17-14(16)10-15(2)13-9-8-11-6-4-5-7-12(11)13/h4-7,13H,3,8-10H2,1-2H3
InChIKeyNGAUZZFSEGBMCE-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate (CID 51076007) is ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate is CCOC(=O)CN(C)C1CCc2ccccc21.
What is the InChIKey of ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
The InChIKey is NGAUZZFSEGBMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14(16)10-15(2)13-9-8-11-6-4-5-7-12(11)13/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate is sourced from PubChem (CID 51076007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).