cyclohexylmethyl 2-(4-aminophenyl)acetate

C15H21NO2 — CID 61321508

IUPACcyclohexylmethyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c16-14-8-6-12(7-9-14)10-15(17)18-11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,16H2
InChIKeyPWTLWYUPIGUBJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds4

About cyclohexylmethyl 2-(4-aminophenyl)acetate

cyclohexylmethyl 2-(4-aminophenyl)acetate (PubChem CID 61321508) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is cyclohexylmethyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Namecyclohexylmethyl 2-(4-aminophenyl)acetate
PubChem CID61321508
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namecyclohexylmethyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C15H21NO2/c16-14-8-6-12(7-9-14)10-15(17)18-11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,16H2
InChIKeyPWTLWYUPIGUBJS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl 2-(4-sulfanylphenyl)acetate
CID 107018726
cyclohexylmethyl 3-(4-aminophenyl)propanoate
CID 61314323
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate
CID 103136975
(2-methylcyclohexyl) 2-(4-aminophenyl)acetate
CID 61277634
cyclohexylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342526
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 130473799
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-(4-aminophenyl)acetate?
The IUPAC name of cyclohexylmethyl 2-(4-aminophenyl)acetate (CID 61321508) is cyclohexylmethyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for cyclohexylmethyl 2-(4-aminophenyl)acetate?
The canonical SMILES for cyclohexylmethyl 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCC2CCCCC2)cc1.
What is the InChIKey of cyclohexylmethyl 2-(4-aminophenyl)acetate?
The InChIKey is PWTLWYUPIGUBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-14-8-6-12(7-9-14)10-15(17)18-11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11,16H2.
What are the key properties of cyclohexylmethyl 2-(4-aminophenyl)acetate?
cyclohexylmethyl 2-(4-aminophenyl)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 61321508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).