3-[(2-methoxyanilino)methyl]benzoic acid

C15H15NO3 — CID 75357537

IUPAC3-[(2-methoxyanilino)methyl]benzoic acid
SMILESCOc1ccccc1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-19-14-8-3-2-7-13(14)16-10-11-5-4-6-12(9-11)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeySFILHYJYKKIUNW-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.01
Rot. Bonds5

About 3-[(2-methoxyanilino)methyl]benzoic acid

3-[(2-methoxyanilino)methyl]benzoic acid (PubChem CID 75357537) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(2-methoxyanilino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxyanilino)methyl]benzoic acid
PubChem CID75357537
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[(2-methoxyanilino)methyl]benzoic acid
SMILESCOc1ccccc1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-19-14-8-3-2-7-13(14)16-10-11-5-4-6-12(9-11)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeySFILHYJYKKIUNW-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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Related Compounds

3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
2-[(3-carboxyphenyl)methylamino]benzoic acid
CID 10468410
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
3-[(2,4,5-trimethylanilino)methyl]benzoic acid
CID 115221774
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
3-[(3-chloro-2-fluoroanilino)methyl]benzoic acid
CID 103236447
3-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid
CID 43217223
3-[(2-bromo-4-methylanilino)methyl]benzoic acid
CID 103231664
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzoic acid
CID 66320083
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
3-[[2-(4-ethylpiperazin-1-yl)anilino]methyl]benzoic acid
CID 122029617

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyanilino)methyl]benzoic acid?
The IUPAC name of 3-[(2-methoxyanilino)methyl]benzoic acid (CID 75357537) is 3-[(2-methoxyanilino)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-methoxyanilino)methyl]benzoic acid?
The canonical SMILES for 3-[(2-methoxyanilino)methyl]benzoic acid is COc1ccccc1NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxyanilino)methyl]benzoic acid?
The InChIKey is SFILHYJYKKIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-8-3-2-7-13(14)16-10-11-5-4-6-12(9-11)15(17)18/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methoxyanilino)methyl]benzoic acid?
3-[(2-methoxyanilino)methyl]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 3-[(2-methoxyanilino)methyl]benzoic acid is sourced from PubChem (CID 75357537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).