2-(2,2-diphenylethoxy)-N,N-diethylethanamine

C20H27NO — CID 171384452

IUPAC2-(2,2-diphenylethoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-3-21(4-2)15-16-22-17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKeyCBJAJVXMLCTGNQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.18
Rot. Bonds9

About 2-(2,2-diphenylethoxy)-N,N-diethylethanamine

2-(2,2-diphenylethoxy)-N,N-diethylethanamine (PubChem CID 171384452) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(2,2-diphenylethoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2,2-diphenylethoxy)-N,N-diethylethanamine
PubChem CID171384452
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(2,2-diphenylethoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-3-21(4-2)15-16-22-17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKeyCBJAJVXMLCTGNQ-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(2,2-diphenylethoxy)-N,N-diethylethanamine (CID 171384452) is 2-(2,2-diphenylethoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2,2-diphenylethoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(2,2-diphenylethoxy)-N,N-diethylethanamine is CCN(CC)CCOCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylethoxy)-N,N-diethylethanamine?
The InChIKey is CBJAJVXMLCTGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-21(4-2)15-16-22-17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3.
What are the key properties of 2-(2,2-diphenylethoxy)-N,N-diethylethanamine?
2-(2,2-diphenylethoxy)-N,N-diethylethanamine has a molecular weight of 297.44 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethoxy)-N,N-diethylethanamine is sourced from PubChem (CID 171384452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).