2-[2-(anilinomethyl)phenoxy]acetic acid

C15H15NO3 — CID 126116290

IUPAC2-[2-(anilinomethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNc1ccccc1
InChIInChI=1S/C15H15NO3/c17-15(18)11-19-14-9-5-4-6-12(14)10-16-13-7-2-1-3-8-13/h1-9,16H,10-11H2,(H,17,18)
InChIKeyOSYHJCVAFFLTFX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds6

About 2-[2-(anilinomethyl)phenoxy]acetic acid

2-[2-(anilinomethyl)phenoxy]acetic acid (PubChem CID 126116290) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(anilinomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(anilinomethyl)phenoxy]acetic acid
PubChem CID126116290
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[2-(anilinomethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNc1ccccc1
InChIInChI=1S/C15H15NO3/c17-15(18)11-19-14-9-5-4-6-12(14)10-16-13-7-2-1-3-8-13/h1-9,16H,10-11H2,(H,17,18)
InChIKeyOSYHJCVAFFLTFX-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[[2-(carboxymethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 102535695
4-[4-[(2-ethoxyphenyl)methylamino]phenyl]butanoic acid
CID 21037057
2-(2-methoxyphenoxy)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982660
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(anilinomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(anilinomethyl)phenoxy]acetic acid (CID 126116290) is 2-[2-(anilinomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(anilinomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(anilinomethyl)phenoxy]acetic acid is O=C(O)COc1ccccc1CNc1ccccc1.
What is the InChIKey of 2-[2-(anilinomethyl)phenoxy]acetic acid?
The InChIKey is OSYHJCVAFFLTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)11-19-14-9-5-4-6-12(14)10-16-13-7-2-1-3-8-13/h1-9,16H,10-11H2,(H,17,18).
What are the key properties of 2-[2-(anilinomethyl)phenoxy]acetic acid?
2-[2-(anilinomethyl)phenoxy]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(anilinomethyl)phenoxy]acetic acid is sourced from PubChem (CID 126116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).