cyclohexyl 2-(4-aminophenyl)propanoate

C15H21NO2 — CID 21294070

IUPACcyclohexyl 2-(4-aminophenyl)propanoate
SMILESCC(C(=O)OC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H21NO2/c1-11(12-7-9-13(16)10-8-12)15(17)18-14-5-3-2-4-6-14/h7-11,14H,2-6,16H2,1H3
InChIKeySTMHEWCYLOTFCH-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.25
Rot. Bonds3

About cyclohexyl 2-(4-aminophenyl)propanoate

cyclohexyl 2-(4-aminophenyl)propanoate (PubChem CID 21294070) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohexyl 2-(4-aminophenyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-aminophenyl)propanoate
PubChem CID21294070
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclohexyl 2-(4-aminophenyl)propanoate
SMILESCC(C(=O)OC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H21NO2/c1-11(12-7-9-13(16)10-8-12)15(17)18-14-5-3-2-4-6-14/h7-11,14H,2-6,16H2,1H3
InChIKeySTMHEWCYLOTFCH-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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 cyclohexyl 2-(4-aminophenyl)propanoate?
The IUPAC name of cyclohexyl 2-(4-aminophenyl)propanoate (CID 21294070) is cyclohexyl 2-(4-aminophenyl)propanoate.
What is the SMILES notation for cyclohexyl 2-(4-aminophenyl)propanoate?
The canonical SMILES for cyclohexyl 2-(4-aminophenyl)propanoate is CC(C(=O)OC1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of cyclohexyl 2-(4-aminophenyl)propanoate?
The InChIKey is STMHEWCYLOTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(12-7-9-13(16)10-8-12)15(17)18-14-5-3-2-4-6-14/h7-11,14H,2-6,16H2,1H3.
What are the key properties of cyclohexyl 2-(4-aminophenyl)propanoate?
cyclohexyl 2-(4-aminophenyl)propanoate has a molecular weight of 247.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-aminophenyl)propanoate is sourced from PubChem (CID 21294070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).