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

C16H23NO3 — CID 107683871

IUPACethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESCCCNC1CCc2cc(OCC(=O)OCC)ccc21
InChIInChI=1S/C16H23NO3/c1-3-9-17-15-8-5-12-10-13(6-7-14(12)15)20-11-16(18)19-4-2/h6-7,10,15,17H,3-5,8-9,11H2,1-2H3
InChIKeyMAKHAPRULBOFSE-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.62
Rot. Bonds7

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

ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate (PubChem CID 107683871) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
PubChem CID107683871
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESCCCNC1CCc2cc(OCC(=O)OCC)ccc21
InChIInChI=1S/C16H23NO3/c1-3-9-17-15-8-5-12-10-13(6-7-14(12)15)20-11-16(18)19-4-2/h6-7,10,15,17H,3-5,8-9,11H2,1-2H3
InChIKeyMAKHAPRULBOFSE-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
N,N-dimethyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107683897
N-cyclopropyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107684032
2,2-dimethyl-3-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoic acid
CID 107683929
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683877
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683888
5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683923
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817
ethyl 2-[[7-(2-hydroxyethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 23191781
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate (CID 107683871) is ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate is CCCNC1CCc2cc(OCC(=O)OCC)ccc21.
What is the InChIKey of ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The InChIKey is MAKHAPRULBOFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-9-17-15-8-5-12-10-13(6-7-14(12)15)20-11-16(18)19-4-2/h6-7,10,15,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate is sourced from PubChem (CID 107683871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).