N-benzyl-2,2-diethoxyethanamine

C13H21NO2 — CID 521961

IUPACN-benzyl-2,2-diethoxyethanamine
SMILESCCOC(CNCc1ccccc1)OCC
InChIInChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKeySXFVQTYQHWRYOS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds8

About N-benzyl-2,2-diethoxyethanamine

N-benzyl-2,2-diethoxyethanamine (PubChem CID 521961) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-benzyl-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-benzyl-2,2-diethoxyethanamine
PubChem CID521961
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-benzyl-2,2-diethoxyethanamine
SMILESCCOC(CNCc1ccccc1)OCC
InChIInChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
InChIKeySXFVQTYQHWRYOS-UHFFFAOYSA-N
XLogP2.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-diethoxyethanamine?
The IUPAC name of N-benzyl-2,2-diethoxyethanamine (CID 521961) is N-benzyl-2,2-diethoxyethanamine.
What is the SMILES notation for N-benzyl-2,2-diethoxyethanamine?
The canonical SMILES for N-benzyl-2,2-diethoxyethanamine is CCOC(CNCc1ccccc1)OCC.
What is the InChIKey of N-benzyl-2,2-diethoxyethanamine?
The InChIKey is SXFVQTYQHWRYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3.
What are the key properties of N-benzyl-2,2-diethoxyethanamine?
N-benzyl-2,2-diethoxyethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-diethoxyethanamine is sourced from PubChem (CID 521961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).