2-cyclohexylethyl 4-aminobenzoate

C15H21NO2 — CID 114192361

IUPAC2-cyclohexylethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCCC2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,16H2
InChIKeyKOZQLTWBNOXXQO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.40
Rot. Bonds4

About 2-cyclohexylethyl 4-aminobenzoate

2-cyclohexylethyl 4-aminobenzoate (PubChem CID 114192361) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclohexylethyl 4-aminobenzoate.

Molecular Properties

Compound Name2-cyclohexylethyl 4-aminobenzoate
PubChem CID114192361
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-cyclohexylethyl 4-aminobenzoate
SMILESNc1ccc(C(=O)OCCC2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,16H2
InChIKeyKOZQLTWBNOXXQO-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylethyl 4-sulfanylbenzoate
CID 106208001
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
3-cyclooctylpropyl 4-bromobenzoate
CID 123141211
3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride
CID 24843482
2-cyclobutylethyl 4-amino-3-methylbenzoate
CID 106203085
2-cyclobutylethyl 3-amino-4-chlorobenzoate
CID 106202993
2-(3-aminocycloheptyl)ethyl benzoate
CID 123815530
4-cyclohexylbutyl 4-propylbenzoate
CID 171776256
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
4-(2-cyclohexylethoxycarbonyl)-2-methylbenzenesulfonic acid
CID 89364831
2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl 4-aminobenzoate?
The IUPAC name of 2-cyclohexylethyl 4-aminobenzoate (CID 114192361) is 2-cyclohexylethyl 4-aminobenzoate.
What is the SMILES notation for 2-cyclohexylethyl 4-aminobenzoate?
The canonical SMILES for 2-cyclohexylethyl 4-aminobenzoate is Nc1ccc(C(=O)OCCC2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylethyl 4-aminobenzoate?
The InChIKey is KOZQLTWBNOXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,16H2.
What are the key properties of 2-cyclohexylethyl 4-aminobenzoate?
2-cyclohexylethyl 4-aminobenzoate has a molecular weight of 247.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 4-aminobenzoate is sourced from PubChem (CID 114192361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).