2-(diethylamino)ethyl benzoate

C13H19NO2 — CID 17390

IUPAC2-(diethylamino)ethyl benzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyGEVPHAFTDXTZHY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds6

About 2-(diethylamino)ethyl benzoate

2-(diethylamino)ethyl benzoate (PubChem CID 17390) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(diethylamino)ethyl benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl benzoate
PubChem CID17390
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(diethylamino)ethyl benzoate
SMILESCCN(CC)CCOC(=O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyGEVPHAFTDXTZHY-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl benzoate?
The IUPAC name of 2-(diethylamino)ethyl benzoate (CID 17390) is 2-(diethylamino)ethyl benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl benzoate?
The canonical SMILES for 2-(diethylamino)ethyl benzoate is CCN(CC)CCOC(=O)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl benzoate?
The InChIKey is GEVPHAFTDXTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl benzoate?
2-(diethylamino)ethyl benzoate has a molecular weight of 221.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl benzoate is sourced from PubChem (CID 17390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).