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

C15H14FNO3 — CID 115460486

IUPAC2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
SMILESNc1ccc(F)cc1OCc1ccccc1CC(=O)O
InChIInChI=1S/C15H14FNO3/c16-12-5-6-13(17)14(8-12)20-9-11-4-2-1-3-10(11)7-15(18)19/h1-6,8H,7,9,17H2,(H,18,19)
InChIKeyHJHZTHLEPBGSSF-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.61
Rot. Bonds5

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

2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid (PubChem CID 115460486) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
PubChem CID115460486
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
SMILESNc1ccc(F)cc1OCc1ccccc1CC(=O)O
InChIInChI=1S/C15H14FNO3/c16-12-5-6-13(17)14(8-12)20-9-11-4-2-1-3-10(11)7-15(18)19/h1-6,8H,7,9,17H2,(H,18,19)
InChIKeyHJHZTHLEPBGSSF-UHFFFAOYSA-N
XLogP2.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-[2-[(2-amino-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460512
CID 6330703
CID 6330703
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid (CID 115460486) is 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid is Nc1ccc(F)cc1OCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is HJHZTHLEPBGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-12-5-6-13(17)14(8-12)20-9-11-4-2-1-3-10(11)7-15(18)19/h1-6,8H,7,9,17H2,(H,18,19).
What are the key properties of 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid?
2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid has a molecular weight of 275.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 115460486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).