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

C15H23NO3 — CID 82532614

IUPAC2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate
SMILESCCCNCCOCCOC(=O)c1ccccc1C
InChIInChI=1S/C15H23NO3/c1-3-8-16-9-10-18-11-12-19-15(17)14-7-5-4-6-13(14)2/h4-7,16H,3,8-12H2,1-2H3
InChIKeyAREIPDPHBBNCCC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds9

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

2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate (PubChem CID 82532614) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate.

Molecular Properties

Compound Name2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate
PubChem CID82532614
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate
SMILESCCCNCCOCCOC(=O)c1ccccc1C
InChIInChI=1S/C15H23NO3/c1-3-8-16-9-10-18-11-12-19-15(17)14-7-5-4-6-13(14)2/h4-7,16H,3,8-12H2,1-2H3
InChIKeyAREIPDPHBBNCCC-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
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-(propylamino)ethoxy]ethyl benzoate
CID 82532615
2-nonoxyethyl 2-methylbenzoate
CID 140608638
propyl 2-methylbenzoate
CID 23432654
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
tridecyl 2-methylbenzoate
CID 530568
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
2-propoxyethyl 2-sulfanylbenzoate
CID 107018768
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
3-chloropropyl 2-methylbenzoate
CID 101290040
4-O-[2-(2-methylbenzoyl)oxyethyl] 1-O-[2-[(2-methylphenoxy)methoxy]ethyl] benzene-1,4-dicarboxylate
CID 118286038
2-cyanoethyl 2-methylbenzoate
CID 123131097
4-oxopentyl 2-methylbenzoate
CID 78846435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate?
The IUPAC name of 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate (CID 82532614) is 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate.
What is the SMILES notation for 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate?
The canonical SMILES for 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate is CCCNCCOCCOC(=O)c1ccccc1C.
What is the InChIKey of 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate?
The InChIKey is AREIPDPHBBNCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-8-16-9-10-18-11-12-19-15(17)14-7-5-4-6-13(14)2/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate?
2-[2-(propylamino)ethoxy]ethyl 2-methylbenzoate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 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 2-methylbenzoate is sourced from PubChem (CID 82532614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).