2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride

C25H37ClN2O2 — CID 19153

IUPAC2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride
SMILESCCC(CC)COC(C(=O)N(C)CC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C25H36N2O2.ClH/c1-6-21(7-2)20-29-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(28)27(5)19-18-26(3)4;/h8-17,21H,6-7,18-20H2,1-5H3;1H
InChIKeyNNKSRGUMPLVLGD-UHFFFAOYSA-N
MW433.04 g/mol
LogP-0.01
Rot. Bonds11

About 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride

2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride (PubChem CID 19153) has the molecular formula C25H37ClN2O2 and a molecular weight of 433.04 g/mol. Its IUPAC name is 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride
PubChem CID19153
Molecular FormulaC25H37ClN2O2
Molecular Weight433.04 g/mol
Exact Mass432.25
IUPAC Name2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride
SMILESCCC(CC)COC(C(=O)N(C)CC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C25H36N2O2.ClH/c1-6-21(7-2)20-29-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(28)27(5)19-18-26(3)4;/h8-17,21H,6-7,18-20H2,1-5H3;1H
InChIKeyNNKSRGUMPLVLGD-UHFFFAOYSA-N
XLogP-0.01
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.04
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride (CID 19153) is 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride is CCC(CC)COC(C(=O)N(C)CC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride?
The InChIKey is NNKSRGUMPLVLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2.ClH/c1-6-21(7-2)20-29-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(28)27(5)19-18-26(3)4;/h8-17,21H,6-7,18-20H2,1-5H3;1H.
What are the key properties of 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride?
2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride has a molecular weight of 433.04 g/mol, XLogP of -0.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride is sourced from PubChem (CID 19153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).