2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid

C15H14FNO3 — CID 107341632

IUPAC2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
SMILESCc1cc(F)ccc1COc1cccc(N)c1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-9-7-11(16)6-5-10(9)8-20-13-4-2-3-12(17)14(13)15(18)19/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyXSGWSHSRANCWHV-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid

2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid (PubChem CID 107341632) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
PubChem CID107341632
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
SMILESCc1cc(F)ccc1COc1cccc(N)c1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-9-7-11(16)6-5-10(9)8-20-13-4-2-3-12(17)14(13)15(18)19/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyXSGWSHSRANCWHV-UHFFFAOYSA-N
XLogP2.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.99
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-methylphenoxy)methyl]benzoic acid
CID 104825317
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107341578
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505
methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoic acid
CID 104825491

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid (CID 107341632) is 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid is Cc1cc(F)ccc1COc1cccc(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid?
The InChIKey is XSGWSHSRANCWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-7-11(16)6-5-10(9)8-20-13-4-2-3-12(17)14(13)15(18)19/h2-7H,8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid?
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid has a molecular weight of 275.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 107341632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).