2-[2-(propylamino)ethoxy]ethyl benzoate

C14H21NO3 — CID 82532615

IUPAC2-[2-(propylamino)ethoxy]ethyl benzoate
SMILESCCCNCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-8-15-9-10-17-11-12-18-14(16)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyWCBKFBAYDORMEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds9

About 2-[2-(propylamino)ethoxy]ethyl benzoate

2-[2-(propylamino)ethoxy]ethyl benzoate (PubChem CID 82532615) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(propylamino)ethoxy]ethyl benzoate.

Molecular Properties

Compound Name2-[2-(propylamino)ethoxy]ethyl benzoate
PubChem CID82532615
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-(propylamino)ethoxy]ethyl benzoate
SMILESCCCNCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-8-15-9-10-17-11-12-18-14(16)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyWCBKFBAYDORMEM-UHFFFAOYSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate
CID 82532614
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-nonoxyethyl benzoate
CID 140608587
2-(2-phenylethylamino)ethyl benzoate
CID 82532113
2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
CID 82532252
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
CID 146533433
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
(111C)butyl benzoate
CID 11994383
2-(aminomethoxy)ethyl benzoate
CID 89228347
2-(3-methylbutoxy)ethyl benzoate
CID 140608731

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethoxy]ethyl benzoate?
The IUPAC name of 2-[2-(propylamino)ethoxy]ethyl benzoate (CID 82532615) is 2-[2-(propylamino)ethoxy]ethyl benzoate.
What is the SMILES notation for 2-[2-(propylamino)ethoxy]ethyl benzoate?
The canonical SMILES for 2-[2-(propylamino)ethoxy]ethyl benzoate is CCCNCCOCCOC(=O)c1ccccc1.
What is the InChIKey of 2-[2-(propylamino)ethoxy]ethyl benzoate?
The InChIKey is WCBKFBAYDORMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-8-15-9-10-17-11-12-18-14(16)13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3.
What are the key properties of 2-[2-(propylamino)ethoxy]ethyl benzoate?
2-[2-(propylamino)ethoxy]ethyl benzoate has a molecular weight of 251.33 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)ethoxy]ethyl benzoate is sourced from PubChem (CID 82532615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).