ethyl 2-[4-(benzylamino)phenyl]acetate

C17H19NO2 — CID 5005571

IUPACethyl 2-[4-(benzylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)12-14-8-10-16(11-9-14)18-13-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3
InChIKeySTWRUFUDZZDORZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.40
Rot. Bonds6

About ethyl 2-[4-(benzylamino)phenyl]acetate

ethyl 2-[4-(benzylamino)phenyl]acetate (PubChem CID 5005571) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-[4-(benzylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(benzylamino)phenyl]acetate
PubChem CID5005571
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-[4-(benzylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)12-14-8-10-16(11-9-14)18-13-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3
InChIKeySTWRUFUDZZDORZ-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(benzylamino)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(benzylamino)phenyl]acetate (CID 5005571) is ethyl 2-[4-(benzylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(benzylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(benzylamino)phenyl]acetate is CCOC(=O)Cc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(benzylamino)phenyl]acetate?
The InChIKey is STWRUFUDZZDORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(19)12-14-8-10-16(11-9-14)18-13-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[4-(benzylamino)phenyl]acetate?
ethyl 2-[4-(benzylamino)phenyl]acetate has a molecular weight of 269.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(benzylamino)phenyl]acetate is sourced from PubChem (CID 5005571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).