ethyl 2-(4-aminophenyl)-2-anilinoacetate

C16H18N2O2 — CID 102486289

IUPACethyl 2-(4-aminophenyl)-2-anilinoacetate
SMILESCCOC(=O)C(Nc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)15(12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h3-11,15,18H,2,17H2,1H3
InChIKeyRCJNNIZZBNJGNU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-(4-aminophenyl)-2-anilinoacetate

ethyl 2-(4-aminophenyl)-2-anilinoacetate (PubChem CID 102486289) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)-2-anilinoacetate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)-2-anilinoacetate
PubChem CID102486289
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 2-(4-aminophenyl)-2-anilinoacetate
SMILESCCOC(=O)C(Nc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)15(12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h3-11,15,18H,2,17H2,1H3
InChIKeyRCJNNIZZBNJGNU-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-aminophenyl)-2-anilinoacetate?
The IUPAC name of ethyl 2-(4-aminophenyl)-2-anilinoacetate (CID 102486289) is ethyl 2-(4-aminophenyl)-2-anilinoacetate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)-2-anilinoacetate?
The canonical SMILES for ethyl 2-(4-aminophenyl)-2-anilinoacetate is CCOC(=O)C(Nc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of ethyl 2-(4-aminophenyl)-2-anilinoacetate?
The InChIKey is RCJNNIZZBNJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-16(19)15(12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h3-11,15,18H,2,17H2,1H3.
What are the key properties of ethyl 2-(4-aminophenyl)-2-anilinoacetate?
ethyl 2-(4-aminophenyl)-2-anilinoacetate has a molecular weight of 270.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)-2-anilinoacetate is sourced from PubChem (CID 102486289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).