3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H16N2O3 — CID 62990923

IUPAC3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc(CNC2COc3cc(O)ccc32)ccn1
InChIInChI=1S/C15H16N2O3/c1-19-15-6-10(4-5-16-15)8-17-13-9-20-14-7-11(18)2-3-12(13)14/h2-7,13,17-18H,8-9H2,1H3
InChIKeyIQMATONCKAPERZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.02
Rot. Bonds4

About 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 62990923) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID62990923
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc(CNC2COc3cc(O)ccc32)ccn1
InChIInChI=1S/C15H16N2O3/c1-19-15-6-10(4-5-16-15)8-17-13-9-20-14-7-11(18)2-3-12(13)14/h2-7,13,17-18H,8-9H2,1H3
InChIKeyIQMATONCKAPERZ-UHFFFAOYSA-N
XLogP2.02
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
5-Methoxy-2-{[(4-methylpyridin-2-yl)amino]methyl}phenol
CID 683107
(2,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746804
(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine
CID 71728303
US9682910, 4-((2-Methoxypyridin-3-yl)methyl)benzene-1,3-diol (8)
CID 44611571
(R)-pyridin-4-yl(4-(2-pyrrolidin-1-ylethoxy)phenyl)methanol
CID 44129623
4-((5-Methoxy-2-methylphenoxy)methyl)pyridine
CID 46937073
oxalic acid;2-[(pyridin-4-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 44356294
2-[[5-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]pentylamino]methyl]-3,4-dihydro-2H-chromen-7-ol bromide
CID 122188153
2-[[6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]hexylamino]methyl]-3,4-dihydro-2H-chromen-7-ol bromide
CID 122188155
2-[[10-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]decylamino]methyl]-3,4-dihydro-2H-chromen-7-ol bromide
CID 122188157

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 62990923) is 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is COc1cc(CNC2COc3cc(O)ccc32)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is IQMATONCKAPERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-15-6-10(4-5-16-15)8-17-13-9-20-14-7-11(18)2-3-12(13)14/h2-7,13,17-18H,8-9H2,1H3.
What are the key properties of 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 272.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 62990923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).