2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride

C18H21Cl2NO2 — CID 6451501

IUPAC2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
SMILESCN(C)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H20ClNO2.ClH/c1-20(2)13-14-22-17(21)18(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H
InChIKeyXPUAETXQCVNSND-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.70
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride

2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride (PubChem CID 6451501) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
PubChem CID6451501
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
SMILESCN(C)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H20ClNO2.ClH/c1-20(2)13-14-22-17(21)18(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H
InChIKeyXPUAETXQCVNSND-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium
CID 86308486
2-(dimethylamino)ethyl 2-(1,1,2,2,2-pentadeuterioethoxy)-2,2-diphenylacetate
CID 76974357
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223
2-[2-chloroethyl(methyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
CID 6453495
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
CID 117068940
dibutyl 2-chloro-2-phenylpropanedioate
CID 19073801
tris(butanedioic acid);bis(N,N-dimethyl-2-(1-phenyl-1-pyridin-4-ylethoxy)ethanamine)
CID 163339088

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride (CID 6451501) is 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride is CN(C)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride?
The InChIKey is XPUAETXQCVNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2.ClH/c1-20(2)13-14-22-17(21)18(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride?
2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride has a molecular weight of 354.28 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 6451501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).