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

C15H15NO3 — CID 2731039

IUPAC4-[(4-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccc(CNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-19-14-8-2-11(3-9-14)10-16-13-6-4-12(5-7-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyZTRSGBHHPFPTEC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.01
Rot. Bonds5

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

4-[(4-methoxyphenyl)methylamino]benzoic acid (PubChem CID 2731039) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylamino]benzoic acid
PubChem CID2731039
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[(4-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccc(CNc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-19-14-8-2-11(3-9-14)10-16-13-6-4-12(5-7-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyZTRSGBHHPFPTEC-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methylamino]benzoic acid (CID 2731039) is 4-[(4-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methylamino]benzoic acid is COc1ccc(CNc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is ZTRSGBHHPFPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-8-2-11(3-9-14)10-16-13-6-4-12(5-7-13)15(17)18/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of 4-[(4-methoxyphenyl)methylamino]benzoic acid?
4-[(4-methoxyphenyl)methylamino]benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 2731039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).