4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid

C15H15NO4 — CID 61262129

IUPAC4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccc(CNc2ccc(C(=O)O)cc2)c(O)c1
InChIInChI=1S/C15H15NO4/c1-20-13-7-4-11(14(17)8-13)9-16-12-5-2-10(3-6-12)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19)
InChIKeyUGHZTBQNABNBSS-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds5

About 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid

4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid (PubChem CID 61262129) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
PubChem CID61262129
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccc(CNc2ccc(C(=O)O)cc2)c(O)c1
InChIInChI=1S/C15H15NO4/c1-20-13-7-4-11(14(17)8-13)9-16-12-5-2-10(3-6-12)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19)
InChIKeyUGHZTBQNABNBSS-UHFFFAOYSA-N
XLogP2.71
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid 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-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
5-bromo-2-[(4-methoxyanilino)methyl]phenol
CID 86023506
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid (CID 61262129) is 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid is COc1ccc(CNc2ccc(C(=O)O)cc2)c(O)c1.
What is the InChIKey of 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is UGHZTBQNABNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-20-13-7-4-11(14(17)8-13)9-16-12-5-2-10(3-6-12)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19).
What are the key properties of 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid?
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 61262129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).