ethyl 3-(2-aminoethyl)benzoate

C11H15NO2 — CID 12919507

IUPACethyl 3-(2-aminoethyl)benzoate
SMILESCCOC(=O)c1cccc(CCN)c1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6-7,12H2,1H3
InChIKeyFEUSXEHUNBRXCB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.36
Rot. Bonds4

About ethyl 3-(2-aminoethyl)benzoate

ethyl 3-(2-aminoethyl)benzoate (PubChem CID 12919507) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 3-(2-aminoethyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-aminoethyl)benzoate
PubChem CID12919507
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 3-(2-aminoethyl)benzoate
SMILESCCOC(=O)c1cccc(CCN)c1
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6-7,12H2,1H3
InChIKeyFEUSXEHUNBRXCB-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-aminoethyl)benzoate?
The IUPAC name of ethyl 3-(2-aminoethyl)benzoate (CID 12919507) is ethyl 3-(2-aminoethyl)benzoate.
What is the SMILES notation for ethyl 3-(2-aminoethyl)benzoate?
The canonical SMILES for ethyl 3-(2-aminoethyl)benzoate is CCOC(=O)c1cccc(CCN)c1.
What is the InChIKey of ethyl 3-(2-aminoethyl)benzoate?
The InChIKey is FEUSXEHUNBRXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6-7,12H2,1H3.
What are the key properties of ethyl 3-(2-aminoethyl)benzoate?
ethyl 3-(2-aminoethyl)benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-aminoethyl)benzoate is sourced from PubChem (CID 12919507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).