2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride

C20H26ClNO2 — CID 657315

IUPAC2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Cl-].[H+]
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
LogP0.82
Rot. Bonds8

About 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride

2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride (PubChem CID 657315) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
PubChem CID657315
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
SMILESCCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Cl-].[H+]
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
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride
CID 45264976
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493319
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500
2-(2,2-diphenylacetyl)oxyethyl-triethylazanium bromide
CID 3028235
2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
CID 134828224
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
[4-(diethylamino)-1,3-dimethoxybutan-2-yl] 2,2-diphenylacetate;hydrochloride
CID 54598774
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
CID 24834681
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
N-[3-(diethylamino)propyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 3026496

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride?
The IUPAC name of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride (CID 657315) is 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride?
The canonical SMILES for 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride is CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Cl-].[H+].
What is the InChIKey of 2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride?
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;hydron;chloride?
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride has a molecular weight of 347.89 g/mol, XLogP of 0.82, 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;hydron;chloride is sourced from PubChem (CID 657315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).