2-[2-(dibenzylamino)ethoxy]ethanol

C18H23NO2 — CID 15892464

IUPAC2-[2-(dibenzylamino)ethoxy]ethanol
SMILESOCCOCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-12-14-21-13-11-19(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,20H,11-16H2
InChIKeyQLMUDNFDCHOWRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.70
Rot. Bonds9

About 2-[2-(dibenzylamino)ethoxy]ethanol

2-[2-(dibenzylamino)ethoxy]ethanol (PubChem CID 15892464) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-(dibenzylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(dibenzylamino)ethoxy]ethanol
PubChem CID15892464
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-(dibenzylamino)ethoxy]ethanol
SMILESOCCOCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-12-14-21-13-11-19(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,20H,11-16H2
InChIKeyQLMUDNFDCHOWRU-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.70
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 2-[2-(dibenzylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(dibenzylamino)ethoxy]ethanol (CID 15892464) is 2-[2-(dibenzylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(dibenzylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(dibenzylamino)ethoxy]ethanol is OCCOCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[2-(dibenzylamino)ethoxy]ethanol?
The InChIKey is QLMUDNFDCHOWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-12-14-21-13-11-19(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,20H,11-16H2.
What are the key properties of 2-[2-(dibenzylamino)ethoxy]ethanol?
2-[2-(dibenzylamino)ethoxy]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibenzylamino)ethoxy]ethanol is sourced from PubChem (CID 15892464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).