2-(benzylamino)oxy-N,N-diethylethanamine

C13H22N2O — CID 134994507

IUPAC2-(benzylamino)oxy-N,N-diethylethanamine
SMILESCCN(CC)CCONCc1ccccc1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)10-11-16-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyXEGYHFREUIKQFC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.05
Rot. Bonds8

About 2-(benzylamino)oxy-N,N-diethylethanamine

2-(benzylamino)oxy-N,N-diethylethanamine (PubChem CID 134994507) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(benzylamino)oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(benzylamino)oxy-N,N-diethylethanamine
PubChem CID134994507
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(benzylamino)oxy-N,N-diethylethanamine
SMILESCCN(CC)CCONCc1ccccc1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)10-11-16-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyXEGYHFREUIKQFC-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(benzylamino)oxy-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzyl-N-methylethanolamine
CID 66876
Benzyl(2-methoxyethyl)amine
CID 2396989
Benzyl(2-hydroxyethyl)dimethylammonium chloride
CID 3014549
N-Benzyl-2-hydroxy-N,N-dimethylethan-1-aminium bromide
CID 10706443
N-(2-Hydroxyethyl)-N,N-dimethylbenzenemethanaminium
CID 25772
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
Benzenemethanaminium, N,N-diethyl-N-(2-hydroxyethyl)-, chloride (1:1)
CID 88091
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, hydroxide (1:1)
CID 118526
N-benzyl-2-(ethylamino)ethanol
CID 3053442
Benzenemethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, hydroxide (1:1)
CID 118524
N-benzyl-2-hydroxy-N-methylethanamine oxide
CID 264996

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)oxy-N,N-diethylethanamine?
The IUPAC name of 2-(benzylamino)oxy-N,N-diethylethanamine (CID 134994507) is 2-(benzylamino)oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-(benzylamino)oxy-N,N-diethylethanamine?
The canonical SMILES for 2-(benzylamino)oxy-N,N-diethylethanamine is CCN(CC)CCONCc1ccccc1.
What is the InChIKey of 2-(benzylamino)oxy-N,N-diethylethanamine?
The InChIKey is XEGYHFREUIKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(4-2)10-11-16-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of 2-(benzylamino)oxy-N,N-diethylethanamine?
2-(benzylamino)oxy-N,N-diethylethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)oxy-N,N-diethylethanamine is sourced from PubChem (CID 134994507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).