2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid

C15H14FNO3 — CID 140512656

IUPAC2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
SMILESNCc1cc(F)cc(Oc2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C15H14FNO3/c16-12-4-11(9-17)6-14(8-12)20-13-3-1-2-10(5-13)7-15(18)19/h1-6,8H,7,9,17H2,(H,18,19)
InChIKeyURRYSCAHTBWQNS-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.70
Rot. Bonds5

About 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid

2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid (PubChem CID 140512656) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
PubChem CID140512656
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
SMILESNCc1cc(F)cc(Oc2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C15H14FNO3/c16-12-4-11(9-17)6-14(8-12)20-13-3-1-2-10(5-13)7-15(18)19/h1-6,8H,7,9,17H2,(H,18,19)
InChIKeyURRYSCAHTBWQNS-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-[3-(2,4-difluorophenyl)phenoxy]phenyl]acetic acid
CID 59803406
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]acetic acid
CID 61398552
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
4-[[3-(3,5-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760368
2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
CID 107711745
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid (CID 140512656) is 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid is NCc1cc(F)cc(Oc2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid?
The InChIKey is URRYSCAHTBWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-12-4-11(9-17)6-14(8-12)20-13-3-1-2-10(5-13)7-15(18)19/h1-6,8H,7,9,17H2,(H,18,19).
What are the key properties of 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid?
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid has a molecular weight of 275.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid is sourced from PubChem (CID 140512656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).