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

C14H21NO2 — CID 60687567

IUPACethyl 4-[(4-methylphenyl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-3-17-14(16)5-4-10-15-11-13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyFLPAURKZAJGVAZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds7

About ethyl 4-[(4-methylphenyl)methylamino]butanoate

ethyl 4-[(4-methylphenyl)methylamino]butanoate (PubChem CID 60687567) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 4-[(4-methylphenyl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-methylphenyl)methylamino]butanoate
PubChem CID60687567
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 4-[(4-methylphenyl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-3-17-14(16)5-4-10-15-11-13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyFLPAURKZAJGVAZ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

4-[[(4-ethoxy-4-oxobutyl)amino]methyl]benzoic acid
CID 64578353
2-[4-[[(4-ethoxy-4-oxobutyl)amino]methyl]phenyl]acetic acid
CID 103252914
ethyl 4-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoate
CID 60648259
ethyl 4-[(4-cyclopropylphenyl)methylamino]butanoate
CID 79984845
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 4-[(4-bromo-3-methylphenyl)methylamino]butanoate
CID 66473246
methyl 8-[[4-(4-ethoxy-4-oxobutyl)phenyl]methylamino]octanoate
CID 129315330
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 4-[(3,4,5-trifluorophenyl)methylamino]butanoate
CID 64580460
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylphenyl)methylamino]butanoate?
The IUPAC name of ethyl 4-[(4-methylphenyl)methylamino]butanoate (CID 60687567) is ethyl 4-[(4-methylphenyl)methylamino]butanoate.
What is the SMILES notation for ethyl 4-[(4-methylphenyl)methylamino]butanoate?
The canonical SMILES for ethyl 4-[(4-methylphenyl)methylamino]butanoate is CCOC(=O)CCCNCc1ccc(C)cc1.
What is the InChIKey of ethyl 4-[(4-methylphenyl)methylamino]butanoate?
The InChIKey is FLPAURKZAJGVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-17-14(16)5-4-10-15-11-13-8-6-12(2)7-9-13/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 4-[(4-methylphenyl)methylamino]butanoate?
ethyl 4-[(4-methylphenyl)methylamino]butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.43, 7 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]butanoate is sourced from PubChem (CID 60687567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).