4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol

C14H16N2O3 — CID 54926945

IUPAC4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
SMILESCOc1ncccc1CNCc1ccc(O)cc1O
InChIInChI=1S/C14H16N2O3/c1-19-14-11(3-2-6-16-14)9-15-8-10-4-5-12(17)7-13(10)18/h2-7,15,17-18H,8-9H2,1H3
InChIKeyIAVUYTNLEYPGPM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.79
Rot. Bonds5

About 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol

4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol (PubChem CID 54926945) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
PubChem CID54926945
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
SMILESCOc1ncccc1CNCc1ccc(O)cc1O
InChIInChI=1S/C14H16N2O3/c1-19-14-11(3-2-6-16-14)9-15-8-10-4-5-12(17)7-13(10)18/h2-7,15,17-18H,8-9H2,1H3
InChIKeyIAVUYTNLEYPGPM-UHFFFAOYSA-N
XLogP1.79
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
CID 106537672
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol (CID 54926945) is 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol is COc1ncccc1CNCc1ccc(O)cc1O.
What is the InChIKey of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The InChIKey is IAVUYTNLEYPGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-14-11(3-2-6-16-14)9-15-8-10-4-5-12(17)7-13(10)18/h2-7,15,17-18H,8-9H2,1H3.
What are the key properties of 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol?
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol has a molecular weight of 260.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 54926945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).