2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid

C16H17NO4 — CID 115460494

IUPAC2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
SMILESCOc1ccc(N)cc1OCc1ccccc1CC(=O)O
InChIInChI=1S/C16H17NO4/c1-20-14-7-6-13(17)9-15(14)21-10-12-5-3-2-4-11(12)8-16(18)19/h2-7,9H,8,10,17H2,1H3,(H,18,19)
InChIKeyRYBFBVSNPLKHME-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid

2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid (PubChem CID 115460494) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
PubChem CID115460494
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
SMILESCOc1ccc(N)cc1OCc1ccccc1CC(=O)O
InChIInChI=1S/C16H17NO4/c1-20-14-7-6-13(17)9-15(14)21-10-12-5-3-2-4-11(12)8-16(18)19/h2-7,9H,8,10,17H2,1H3,(H,18,19)
InChIKeyRYBFBVSNPLKHME-UHFFFAOYSA-N
XLogP2.48
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
2-[2-[(4-amino-2-methoxyphenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461036
3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
3-methoxy-4-phenylmethoxyaniline
CID 27226
5-amino-2-[(2-fluoro-3-methoxyphenyl)methoxy]benzamide
CID 106956184

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid (CID 115460494) is 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid is COc1ccc(N)cc1OCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid?
The InChIKey is RYBFBVSNPLKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-14-7-6-13(17)9-15(14)21-10-12-5-3-2-4-11(12)8-16(18)19/h2-7,9H,8,10,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid?
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 115460494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).