ethyl 2-(4-aminophenyl)-2-phenylbutanoate

C18H21NO2 — CID 3046178

IUPACethyl 2-(4-aminophenyl)-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C18H21NO2/c1-3-18(17(20)21-4-2,14-8-6-5-7-9-14)15-10-12-16(19)13-11-15/h5-13H,3-4,19H2,1-2H3
InChIKeyRCFUWTKXZZBVRN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.53
Rot. Bonds5

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

ethyl 2-(4-aminophenyl)-2-phenylbutanoate (PubChem CID 3046178) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)-2-phenylbutanoate
PubChem CID3046178
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-(4-aminophenyl)-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C18H21NO2/c1-3-18(17(20)21-4-2,14-8-6-5-7-9-14)15-10-12-16(19)13-11-15/h5-13H,3-4,19H2,1-2H3
InChIKeyRCFUWTKXZZBVRN-UHFFFAOYSA-N
XLogP3.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.53
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 2-(4-aminophenyl)-2-phenylbutanoate?
The IUPAC name of ethyl 2-(4-aminophenyl)-2-phenylbutanoate (CID 3046178) is ethyl 2-(4-aminophenyl)-2-phenylbutanoate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)-2-phenylbutanoate?
The canonical SMILES for ethyl 2-(4-aminophenyl)-2-phenylbutanoate is CCOC(=O)C(CC)(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of ethyl 2-(4-aminophenyl)-2-phenylbutanoate?
The InChIKey is RCFUWTKXZZBVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-18(17(20)21-4-2,14-8-6-5-7-9-14)15-10-12-16(19)13-11-15/h5-13H,3-4,19H2,1-2H3.
What are the key properties of ethyl 2-(4-aminophenyl)-2-phenylbutanoate?
ethyl 2-(4-aminophenyl)-2-phenylbutanoate has a molecular weight of 283.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)-2-phenylbutanoate is sourced from PubChem (CID 3046178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).