2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride

C20H26ClNO2 — CID 5763

IUPAC2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyLKPINBXAWIMZCG-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.13
Rot. Bonds8

About 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride

2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride (PubChem CID 5763) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
PubChem CID5763
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyLKPINBXAWIMZCG-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride (CID 5763) is 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride is CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride?
The InChIKey is LKPINBXAWIMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride?
2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 5763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).