2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride

C19H24ClNO2 — CID 44658693

IUPAC2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H23NO2.ClH/c1-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20(2)3;/h4-13H,14-15H2,1-3H3;1H
InChIKeyHOOVEDKSNKVJAX-UHFFFAOYSA-N
MW333.86 g/mol
LogP-1.32
Rot. Bonds6

About 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride

2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride (PubChem CID 44658693) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
PubChem CID44658693
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H23NO2.ClH/c1-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20(2)3;/h4-13H,14-15H2,1-3H3;1H
InChIKeyHOOVEDKSNKVJAX-UHFFFAOYSA-N
XLogP-1.32
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride 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

2-(2,2-diphenylpropanoyloxy)ethyl-trimethylazanium
CID 21299458
2-[2,2-bis(4-bromophenyl)-2-hydroxyacetyl]oxyethyl-dimethylazanium
CID 7012352
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500
2-(2-bromo-2-phenylacetyl)oxyethyl-dimethylazanium chloride
CID 110193125
propyl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611231
2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium
CID 86308486
2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride
CID 44658058
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
2-[(1S)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl-dimethylazanium
CID 38988829
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride (CID 44658693) is 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride is C[NH+](C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride?
The InChIKey is HOOVEDKSNKVJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-19(16-10-6-4-7-11-16,17-12-8-5-9-13-17)18(21)22-15-14-20(2)3;/h4-13H,14-15H2,1-3H3;1H.
What are the key properties of 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride?
2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride has a molecular weight of 333.86 g/mol, XLogP of -1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride is sourced from PubChem (CID 44658693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).