N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine

C15H26N2O — CID 75480623

IUPACN-benzyl-2-[2-(diethylamino)ethoxy]ethanamine
SMILESCCN(CC)CCOCCNCc1ccccc1
InChIInChI=1S/C15H26N2O/c1-3-17(4-2)11-13-18-12-10-16-14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3
InChIKeyNZIXBZZPGXUCHG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.13
Rot. Bonds10

About N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine

N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine (PubChem CID 75480623) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(diethylamino)ethoxy]ethanamine
PubChem CID75480623
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-benzyl-2-[2-(diethylamino)ethoxy]ethanamine
SMILESCCN(CC)CCOCCNCc1ccccc1
InChIInChI=1S/C15H26N2O/c1-3-17(4-2)11-13-18-12-10-16-14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3
InChIKeyNZIXBZZPGXUCHG-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine (CID 75480623) is N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine is CCN(CC)CCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine?
The InChIKey is NZIXBZZPGXUCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-17(4-2)11-13-18-12-10-16-14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3.
What are the key properties of N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine?
N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(diethylamino)ethoxy]ethanamine is sourced from PubChem (CID 75480623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).