[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride

C20H26ClNO2 — CID 23615535

IUPAC[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
SMILESCCN(CC)CC(OC(=O)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-3-21(4-2)16-19(18-13-9-6-10-14-18)23-20(22)15-17-11-7-5-8-12-17;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyVNSGVWGBSUZUIH-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.28
Rot. Bonds8

About [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride

[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride (PubChem CID 23615535) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
PubChem CID23615535
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
SMILESCCN(CC)CC(OC(=O)Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-3-21(4-2)16-19(18-13-9-6-10-14-18)23-20(22)15-17-11-7-5-8-12-17;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyVNSGVWGBSUZUIH-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride?
The IUPAC name of [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride (CID 23615535) is [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride.
What is the SMILES notation for [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride?
The canonical SMILES for [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride is CCN(CC)CC(OC(=O)Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride?
The InChIKey is VNSGVWGBSUZUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)16-19(18-13-9-6-10-14-18)23-20(22)15-17-11-7-5-8-12-17;/h5-14,19H,3-4,15-16H2,1-2H3;1H.
What are the key properties of [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride?
[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride is sourced from PubChem (CID 23615535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).