ethyl 4-[(benzylamino)methyl]benzoate

C17H19NO2 — CID 5053991

IUPACethyl 4-[(benzylamino)methyl]benzoate
SMILESCCOC(=O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)16-10-8-15(9-11-16)13-18-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeyQVRUSFAPMLXERV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.15
Rot. Bonds6

About ethyl 4-[(benzylamino)methyl]benzoate

ethyl 4-[(benzylamino)methyl]benzoate (PubChem CID 5053991) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-[(benzylamino)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(benzylamino)methyl]benzoate
PubChem CID5053991
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 4-[(benzylamino)methyl]benzoate
SMILESCCOC(=O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)16-10-8-15(9-11-16)13-18-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeyQVRUSFAPMLXERV-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(benzylamino)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(benzylamino)methyl]benzoate?
The IUPAC name of ethyl 4-[(benzylamino)methyl]benzoate (CID 5053991) is ethyl 4-[(benzylamino)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(benzylamino)methyl]benzoate?
The canonical SMILES for ethyl 4-[(benzylamino)methyl]benzoate is CCOC(=O)c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(benzylamino)methyl]benzoate?
The InChIKey is QVRUSFAPMLXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(19)16-10-8-15(9-11-16)13-18-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3.
What are the key properties of ethyl 4-[(benzylamino)methyl]benzoate?
ethyl 4-[(benzylamino)methyl]benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(benzylamino)methyl]benzoate is sourced from PubChem (CID 5053991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).