ethyl 2-(4-aminophenoxy)-2-methylbutanoate

C13H19NO3 — CID 59036055

IUPACethyl 2-(4-aminophenoxy)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)Oc1ccc(N)cc1
InChIInChI=1S/C13H19NO3/c1-4-13(3,12(15)16-5-2)17-11-8-6-10(14)7-9-11/h6-9H,4-5,14H2,1-3H3
InChIKeyJLOCJFBNVDASNW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.38
Rot. Bonds5

About ethyl 2-(4-aminophenoxy)-2-methylbutanoate

ethyl 2-(4-aminophenoxy)-2-methylbutanoate (PubChem CID 59036055) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(4-aminophenoxy)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenoxy)-2-methylbutanoate
PubChem CID59036055
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-(4-aminophenoxy)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)Oc1ccc(N)cc1
InChIInChI=1S/C13H19NO3/c1-4-13(3,12(15)16-5-2)17-11-8-6-10(14)7-9-11/h6-9H,4-5,14H2,1-3H3
InChIKeyJLOCJFBNVDASNW-UHFFFAOYSA-N
XLogP2.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminophenoxy)-2-methylbutanoate?
The IUPAC name of ethyl 2-(4-aminophenoxy)-2-methylbutanoate (CID 59036055) is ethyl 2-(4-aminophenoxy)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-(4-aminophenoxy)-2-methylbutanoate?
The canonical SMILES for ethyl 2-(4-aminophenoxy)-2-methylbutanoate is CCOC(=O)C(C)(CC)Oc1ccc(N)cc1.
What is the InChIKey of ethyl 2-(4-aminophenoxy)-2-methylbutanoate?
The InChIKey is JLOCJFBNVDASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-13(3,12(15)16-5-2)17-11-8-6-10(14)7-9-11/h6-9H,4-5,14H2,1-3H3.
What are the key properties of ethyl 2-(4-aminophenoxy)-2-methylbutanoate?
ethyl 2-(4-aminophenoxy)-2-methylbutanoate has a molecular weight of 237.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenoxy)-2-methylbutanoate is sourced from PubChem (CID 59036055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).