ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate

C15H21NO2 — CID 116914231

IUPACethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
SMILESCCOC(=O)C(c1ccc2c(c1)CCC2)N(C)C
InChIInChI=1S/C15H21NO2/c1-4-18-15(17)14(16(2)3)13-9-8-11-6-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyNLWJQFUAOZEJGZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate

ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate (PubChem CID 116914231) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
PubChem CID116914231
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
SMILESCCOC(=O)C(c1ccc2c(c1)CCC2)N(C)C
InChIInChI=1S/C15H21NO2/c1-4-18-15(17)14(16(2)3)13-9-8-11-6-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3
InChIKeyNLWJQFUAOZEJGZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate 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

ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
CID 116914266
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate (CID 116914231) is ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate is CCOC(=O)C(c1ccc2c(c1)CCC2)N(C)C.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate?
The InChIKey is NLWJQFUAOZEJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-18-15(17)14(16(2)3)13-9-8-11-6-5-7-12(11)10-13/h8-10,14H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate?
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.34, 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-5-yl)-2-(dimethylamino)acetate is sourced from PubChem (CID 116914231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).