cyclohexylmethyl 4-(2-aminoethyl)benzoate

C16H23NO2 — CID 55068002

IUPACcyclohexylmethyl 4-(2-aminoethyl)benzoate
SMILESNCCc1ccc(C(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c17-11-10-13-6-8-15(9-7-13)16(18)19-12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,17H2
InChIKeyWEMZULQHWZPSPT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds5

About cyclohexylmethyl 4-(2-aminoethyl)benzoate

cyclohexylmethyl 4-(2-aminoethyl)benzoate (PubChem CID 55068002) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexylmethyl 4-(2-aminoethyl)benzoate.

Molecular Properties

Compound Namecyclohexylmethyl 4-(2-aminoethyl)benzoate
PubChem CID55068002
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexylmethyl 4-(2-aminoethyl)benzoate
SMILESNCCc1ccc(C(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c17-11-10-13-6-8-15(9-7-13)16(18)19-12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,17H2
InChIKeyWEMZULQHWZPSPT-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-aminoethyl)-N-cyclopentyloxybenzamide
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4-O-(cyclohexylmethyl) 1-O-decyl benzene-1,4-dicarboxylate
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cyclohexylmethyl 4-[2-(4-methoxyphenyl)acetyl]oxybenzoate
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2-[4-(2-cyclohexylethyl)phenyl]ethanamine
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methyl 4-(2-cyclohexylethyl)benzoate
CID 134304144
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
2-cyclohexylethyl 4-aminobenzoate
CID 114192361
4-cyclohexylbutyl 4-propylbenzoate
CID 171776256
cyclohexylmethyl 2-(aminomethyl)pyridine-4-carboxylate
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cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-(2-aminoethyl)benzoate?
The IUPAC name of cyclohexylmethyl 4-(2-aminoethyl)benzoate (CID 55068002) is cyclohexylmethyl 4-(2-aminoethyl)benzoate.
What is the SMILES notation for cyclohexylmethyl 4-(2-aminoethyl)benzoate?
The canonical SMILES for cyclohexylmethyl 4-(2-aminoethyl)benzoate is NCCc1ccc(C(=O)OCC2CCCCC2)cc1.
What is the InChIKey of cyclohexylmethyl 4-(2-aminoethyl)benzoate?
The InChIKey is WEMZULQHWZPSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-11-10-13-6-8-15(9-7-13)16(18)19-12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,17H2.
What are the key properties of cyclohexylmethyl 4-(2-aminoethyl)benzoate?
cyclohexylmethyl 4-(2-aminoethyl)benzoate has a molecular weight of 261.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-(2-aminoethyl)benzoate is sourced from PubChem (CID 55068002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).