(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide

C22H28BrNO3 — CID 44522998

IUPAC(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide
SMILESBr.CCOC(C(=O)OCC1CCCN1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3.BrH/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2;/h4-9,11-14,20H,3,10,15-17H2,1-2H3;1H
InChIKeyBHFXWHJCJHCSMD-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.18
Rot. Bonds7

About (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide

(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide (PubChem CID 44522998) has the molecular formula C22H28BrNO3 and a molecular weight of 434.37 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide
PubChem CID44522998
Molecular FormulaC22H28BrNO3
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide
SMILESBr.CCOC(C(=O)OCC1CCCN1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3.BrH/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2;/h4-9,11-14,20H,3,10,15-17H2,1-2H3;1H
InChIKeyBHFXWHJCJHCSMD-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide 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 (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide (CID 44522998) is (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide is Br.CCOC(C(=O)OCC1CCCN1C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
The InChIKey is BHFXWHJCJHCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3.BrH/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2;/h4-9,11-14,20H,3,10,15-17H2,1-2H3;1H.
What are the key properties of (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide?
(1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide has a molecular weight of 434.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate;hydrobromide is sourced from PubChem (CID 44522998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).