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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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).