1-(4-aminophenyl)ethyl cyclohexanecarboxylate

C15H21NO2 — CID 54299285

IUPAC1-(4-aminophenyl)ethyl cyclohexanecarboxylate
SMILESCC(OC(=O)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H21NO2/c1-11(12-7-9-14(16)10-8-12)18-15(17)13-5-3-2-4-6-13/h7-11,13H,2-6,16H2,1H3
InChIKeySDBCZIIMJRECEB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-aminophenyl)ethyl cyclohexanecarboxylate

1-(4-aminophenyl)ethyl cyclohexanecarboxylate (PubChem CID 54299285) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name1-(4-aminophenyl)ethyl cyclohexanecarboxylate
PubChem CID54299285
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-aminophenyl)ethyl cyclohexanecarboxylate
SMILESCC(OC(=O)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H21NO2/c1-11(12-7-9-14(16)10-8-12)18-15(17)13-5-3-2-4-6-13/h7-11,13H,2-6,16H2,1H3
InChIKeySDBCZIIMJRECEB-UHFFFAOYSA-N
XLogP3.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)ethyl cyclohexanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)ethyl cyclohexanecarboxylate?
The IUPAC name of 1-(4-aminophenyl)ethyl cyclohexanecarboxylate (CID 54299285) is 1-(4-aminophenyl)ethyl cyclohexanecarboxylate.
What is the SMILES notation for 1-(4-aminophenyl)ethyl cyclohexanecarboxylate?
The canonical SMILES for 1-(4-aminophenyl)ethyl cyclohexanecarboxylate is CC(OC(=O)C1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)ethyl cyclohexanecarboxylate?
The InChIKey is SDBCZIIMJRECEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(12-7-9-14(16)10-8-12)18-15(17)13-5-3-2-4-6-13/h7-11,13H,2-6,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)ethyl cyclohexanecarboxylate?
1-(4-aminophenyl)ethyl cyclohexanecarboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)ethyl cyclohexanecarboxylate is sourced from PubChem (CID 54299285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).