tert-butyl 2-(4-aminophenyl)acetate

C12H17NO2 — CID 2760930

IUPACtert-butyl 2-(4-aminophenyl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3
InChIKeyOOPUFXZJWLZPLC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl 2-(4-aminophenyl)acetate

tert-butyl 2-(4-aminophenyl)acetate (PubChem CID 2760930) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is tert-butyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-aminophenyl)acetate
PubChem CID2760930
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nametert-butyl 2-(4-aminophenyl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3
InChIKeyOOPUFXZJWLZPLC-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 tert-butyl 2-(4-aminophenyl)acetate?
The IUPAC name of tert-butyl 2-(4-aminophenyl)acetate (CID 2760930) is tert-butyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for tert-butyl 2-(4-aminophenyl)acetate?
The canonical SMILES for tert-butyl 2-(4-aminophenyl)acetate is CC(C)(C)OC(=O)Cc1ccc(N)cc1.
What is the InChIKey of tert-butyl 2-(4-aminophenyl)acetate?
The InChIKey is OOPUFXZJWLZPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3.
What are the key properties of tert-butyl 2-(4-aminophenyl)acetate?
tert-butyl 2-(4-aminophenyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 2760930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).