4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid

C15H15NO3 — CID 107736702

IUPAC4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1cccc(O)c1
InChIInChI=1S/C15H15NO3/c1-16(13-3-2-4-14(17)9-13)10-11-5-7-12(8-6-11)15(18)19/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyHEHKLCCCFJHUGV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds4

About 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid

4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid (PubChem CID 107736702) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
PubChem CID107736702
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1cccc(O)c1
InChIInChI=1S/C15H15NO3/c1-16(13-3-2-4-14(17)9-13)10-11-5-7-12(8-6-11)15(18)19/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyHEHKLCCCFJHUGV-UHFFFAOYSA-N
XLogP2.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-cyano-N-methylanilino)methyl]benzoic acid
CID 62981168
4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
CID 107736710
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
CID 107736699
4-[(3-amino-N-methylanilino)methyl]benzamide
CID 61295633
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198841
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol
CID 107733829
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid?
The IUPAC name of 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid (CID 107736702) is 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid.
What is the SMILES notation for 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid?
The canonical SMILES for 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)c1cccc(O)c1.
What is the InChIKey of 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid?
The InChIKey is HEHKLCCCFJHUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16(13-3-2-4-14(17)9-13)10-11-5-7-12(8-6-11)15(18)19/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid?
4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid is sourced from PubChem (CID 107736702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).