2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine

C19H23NO2 — CID 11770956

IUPAC2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c1-20(2)14-13-18-15-21-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyKLBVUIXFCUSLJI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.25
Rot. Bonds5

About 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine

2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine (PubChem CID 11770956) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine
PubChem CID11770956
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H23NO2/c1-20(2)14-13-18-15-21-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyKLBVUIXFCUSLJI-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine (CID 11770956) is 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine is CN(C)CCC1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine?
The InChIKey is KLBVUIXFCUSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)14-13-18-15-21-19(22-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine?
2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine has a molecular weight of 297.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 11770956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).