2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid

C16H18N2O3 — CID 115461345

IUPAC2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid
SMILESCNCc1ccc(OCc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C16H18N2O3/c1-17-9-14-6-7-15(10-18-14)21-11-13-5-3-2-4-12(13)8-16(19)20/h2-7,10,17H,8-9,11H2,1H3,(H,19,20)
InChIKeyVLKDSGYNWUBLGN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid

2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid (PubChem CID 115461345) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid
PubChem CID115461345
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid
SMILESCNCc1ccc(OCc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C16H18N2O3/c1-17-9-14-6-7-15(10-18-14)21-11-13-5-3-2-4-12(13)8-16(19)20/h2-7,10,17H,8-9,11H2,1H3,(H,19,20)
InChIKeyVLKDSGYNWUBLGN-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
N,N-dimethyl-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776398
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935
1-[5-[(5-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105370370
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
N-methyl-1-[5-(3-phenylprop-2-enoxy)-2-pyridinyl]methanamine
CID 79775593
N-(2-bromophenyl)-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781844
1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid (CID 115461345) is 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid is CNCc1ccc(OCc2ccccc2CC(=O)O)cn1.
What is the InChIKey of 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid?
The InChIKey is VLKDSGYNWUBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-9-14-6-7-15(10-18-14)21-11-13-5-3-2-4-12(13)8-16(19)20/h2-7,10,17H,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid?
2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid is sourced from PubChem (CID 115461345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).