ethyl 4-(4-aminophenyl)pentanoate

C13H19NO2 — CID 12561714

IUPACethyl 4-(4-aminophenyl)pentanoate
SMILESCCOC(=O)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-4-10(2)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyAERGWZBPLSCVSE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.72
Rot. Bonds5

About ethyl 4-(4-aminophenyl)pentanoate

ethyl 4-(4-aminophenyl)pentanoate (PubChem CID 12561714) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 4-(4-aminophenyl)pentanoate.

Molecular Properties

Compound Nameethyl 4-(4-aminophenyl)pentanoate
PubChem CID12561714
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 4-(4-aminophenyl)pentanoate
SMILESCCOC(=O)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-4-10(2)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyAERGWZBPLSCVSE-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminophenyl)pentanoate?
The IUPAC name of ethyl 4-(4-aminophenyl)pentanoate (CID 12561714) is ethyl 4-(4-aminophenyl)pentanoate.
What is the SMILES notation for ethyl 4-(4-aminophenyl)pentanoate?
The canonical SMILES for ethyl 4-(4-aminophenyl)pentanoate is CCOC(=O)CCC(C)c1ccc(N)cc1.
What is the InChIKey of ethyl 4-(4-aminophenyl)pentanoate?
The InChIKey is AERGWZBPLSCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13(15)9-4-10(2)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3.
What are the key properties of ethyl 4-(4-aminophenyl)pentanoate?
ethyl 4-(4-aminophenyl)pentanoate has a molecular weight of 221.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminophenyl)pentanoate is sourced from PubChem (CID 12561714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).