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

C16H23NO3 — CID 107683817

IUPACethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
SMILESCCNC1CCc2cc(OC(C)C(=O)OCC)ccc21
InChIInChI=1S/C16H23NO3/c1-4-17-15-9-6-12-10-13(7-8-14(12)15)20-11(3)16(18)19-5-2/h7-8,10-11,15,17H,4-6,9H2,1-3H3
InChIKeyYGQFZCYDQHZMSB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.61
Rot. Bonds6

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

ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate (PubChem CID 107683817) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
PubChem CID107683817
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
SMILESCCNC1CCc2cc(OC(C)C(=O)OCC)ccc21
InChIInChI=1S/C16H23NO3/c1-4-17-15-9-6-12-10-13(7-8-14(12)15)20-11(3)16(18)19-5-2/h7-8,10-11,15,17H,4-6,9H2,1-3H3
InChIKeyYGQFZCYDQHZMSB-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683580
5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683888
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613
ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683871
5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683877
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
N-cyclopropyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683434
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66825773
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate?
The IUPAC name of ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate (CID 107683817) is ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate is CCNC1CCc2cc(OC(C)C(=O)OCC)ccc21.
What is the InChIKey of ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate?
The InChIKey is YGQFZCYDQHZMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-17-15-9-6-12-10-13(7-8-14(12)15)20-11(3)16(18)19-5-2/h7-8,10-11,15,17H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate?
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate is sourced from PubChem (CID 107683817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).