2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid

C15H16N2O3 — CID 57411895

IUPAC2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNCc1cccnc1
InChIInChI=1S/C15H16N2O3/c18-15(19)11-20-14-6-2-1-5-13(14)10-17-9-12-4-3-7-16-8-12/h1-8,17H,9-11H2,(H,18,19)
InChIKeyLCFZBWHKHLYGLB-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid

2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid (PubChem CID 57411895) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
PubChem CID57411895
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNCc1cccnc1
InChIInChI=1S/C15H16N2O3/c18-15(19)11-20-14-6-2-1-5-13(14)10-17-9-12-4-3-7-16-8-12/h1-8,17H,9-11H2,(H,18,19)
InChIKeyLCFZBWHKHLYGLB-UHFFFAOYSA-N
XLogP1.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid (CID 57411895) is 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CNCc1cccnc1.
What is the InChIKey of 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid?
The InChIKey is LCFZBWHKHLYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)11-20-14-6-2-1-5-13(14)10-17-9-12-4-3-7-16-8-12/h1-8,17H,9-11H2,(H,18,19).
What are the key properties of 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid?
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 57411895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).