ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate

C14H19NO2 — CID 66825773

IUPACethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCNC1CCc2ccc(C(=O)OCC)cc21
InChIInChI=1S/C14H19NO2/c1-3-15-13-8-7-10-5-6-11(9-12(10)13)14(16)17-4-2/h5-6,9,13,15H,3-4,7-8H2,1-2H3
InChIKeyZOBPQKZMQOTAIG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds4

About ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate

ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66825773) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66825773
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCNC1CCc2ccc(C(=O)OCC)cc21
InChIInChI=1S/C14H19NO2/c1-3-15-13-8-7-10-5-6-11(9-12(10)13)14(16)17-4-2/h5-6,9,13,15H,3-4,7-8H2,1-2H3
InChIKeyZOBPQKZMQOTAIG-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
CID 43321711
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66827063
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
methyl 3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67547074
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 66825773) is ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate is CCNC1CCc2ccc(C(=O)OCC)cc21.
What is the InChIKey of ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is ZOBPQKZMQOTAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15-13-8-7-10-5-6-11(9-12(10)13)14(16)17-4-2/h5-6,9,13,15H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate?
ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66825773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).