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

C21H25NO2 — CID 68856250

IUPACethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate
SMILESCCOC(=O)CC1CCc2cc(NCCc3ccccc3)ccc21
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)15-18-9-8-17-14-19(10-11-20(17)18)22-13-12-16-6-4-3-5-7-16/h3-7,10-11,14,18,22H,2,8-9,12-13,15H2,1H3
InChIKeyKSVIVXHSBNNXGW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.32
Rot. Bonds7

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

ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate (PubChem CID 68856250) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate
PubChem CID68856250
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nameethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate
SMILESCCOC(=O)CC1CCc2cc(NCCc3ccccc3)ccc21
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)15-18-9-8-17-14-19(10-11-20(17)18)22-13-12-16-6-4-3-5-7-16/h3-7,10-11,14,18,22H,2,8-9,12-13,15H2,1H3
InChIKeyKSVIVXHSBNNXGW-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate (CID 68856250) is ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate is CCOC(=O)CC1CCc2cc(NCCc3ccccc3)ccc21.
What is the InChIKey of ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
The InChIKey is KSVIVXHSBNNXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-24-21(23)15-18-9-8-17-14-19(10-11-20(17)18)22-13-12-16-6-4-3-5-7-16/h3-7,10-11,14,18,22H,2,8-9,12-13,15H2,1H3.
What are the key properties of ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate?
ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate has a molecular weight of 323.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-phenylethylamino)-2,3-dihydro-1H-inden-1-yl]acetate is sourced from PubChem (CID 68856250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).