ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate

C18H21NO2 — CID 5019647

IUPACethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)17-10-8-16(9-11-17)13-19-12-15-6-4-14(2)5-7-15/h4-11,19H,3,12-13H2,1-2H3
InChIKeyHWCQHJXCSZEFPW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.46
Rot. Bonds6

About ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate

ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate (PubChem CID 5019647) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
PubChem CID5019647
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)17-10-8-16(9-11-17)13-19-12-15-6-4-14(2)5-7-15/h4-11,19H,3,12-13H2,1-2H3
InChIKeyHWCQHJXCSZEFPW-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[[(4-methylphenyl)methylamino]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

Related Compounds

ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
ethyl 4-[[(4-methylphenoxy)methylcarbamoylamino]methyl]benzoate
CID 108893112
ethyl 4-amino-3-[(4-methylphenyl)methylamino]benzoate
CID 82778563
ethyl 4-[(4-methylphenyl)sulfanylmethyl]benzoate
CID 14927153
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-[(methylsulfanylcarbothioylamino)methyl]benzoate
CID 5093207
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886
ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
CID 138971712

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate?
The IUPAC name of ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate (CID 5019647) is ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate is CCOC(=O)c1ccc(CNCc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate?
The InChIKey is HWCQHJXCSZEFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-18(20)17-10-8-16(9-11-17)13-19-12-15-6-4-14(2)5-7-15/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate?
ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate has a molecular weight of 283.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-methylphenyl)methylamino]methyl]benzoate is sourced from PubChem (CID 5019647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).