2-amino-6-[(2-methylphenoxy)methyl]benzoic acid

C15H15NO3 — CID 104825317

IUPAC2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
SMILESCc1ccccc1OCc1cccc(N)c1C(=O)O
InChIInChI=1S/C15H15NO3/c1-10-5-2-3-8-13(10)19-9-11-6-4-7-12(16)14(11)15(17)18/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyQJYWPUQFELYHJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid

2-amino-6-[(2-methylphenoxy)methyl]benzoic acid (PubChem CID 104825317) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
PubChem CID104825317
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
SMILESCc1ccccc1OCc1cccc(N)c1C(=O)O
InChIInChI=1S/C15H15NO3/c1-10-5-2-3-8-13(10)19-9-11-6-4-7-12(16)14(11)15(17)18/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyQJYWPUQFELYHJX-UHFFFAOYSA-N
XLogP2.85
TPSA72.55 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 104825495
2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoic acid
CID 104825491
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
2-amino-6-[(2-cyanophenoxy)methyl]benzoic acid
CID 104825344
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
2-amino-6-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoic acid
CID 104824358
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-amino-6-(butan-2-yloxymethyl)benzoic acid
CID 104825450
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
(2E)-2-hydroxyimino-N-methyl-2-[2-methyl-6-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 172989196

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid (CID 104825317) is 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid is Cc1ccccc1OCc1cccc(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid?
The InChIKey is QJYWPUQFELYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-5-2-3-8-13(10)19-9-11-6-4-7-12(16)14(11)15(17)18/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid?
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-methylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 104825317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).