2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

C15H25NO4 — CID 3265299

IUPAC2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SMILESOCCOCCN(CCOCCO)Cc1ccccc1
InChIInChI=1S/C15H25NO4/c17-8-12-19-10-6-16(7-11-20-13-9-18)14-15-4-2-1-3-5-15/h1-5,17-18H,6-14H2
InChIKeyHBHHHXUOMCTWCK-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.51
Rot. Bonds12

About 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol (PubChem CID 3265299) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
PubChem CID3265299
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SMILESOCCOCCN(CCOCCO)Cc1ccccc1
InChIInChI=1S/C15H25NO4/c17-8-12-19-10-6-16(7-11-20-13-9-18)14-15-4-2-1-3-5-15/h1-5,17-18H,6-14H2
InChIKeyHBHHHXUOMCTWCK-UHFFFAOYSA-N
XLogP0.51
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol (CID 3265299) is 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol is OCCOCCN(CCOCCO)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The InChIKey is HBHHHXUOMCTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-8-12-19-10-6-16(7-11-20-13-9-18)14-15-4-2-1-3-5-15/h1-5,17-18H,6-14H2.
What are the key properties of 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol has a molecular weight of 283.37 g/mol, XLogP of 0.51, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol is sourced from PubChem (CID 3265299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).