4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol

C15H19NO3 — CID 78928712

IUPAC4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2cc3ccccc3o2)CCOCC1
InChIInChI=1S/C15H19NO3/c17-15(5-7-18-8-6-15)11-16-10-13-9-12-3-1-2-4-14(12)19-13/h1-4,9,16-17H,5-8,10-11H2
InChIKeyFBLYFXXHOGSONG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.06
Rot. Bonds4

About 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol

4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol (PubChem CID 78928712) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
PubChem CID78928712
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2cc3ccccc3o2)CCOCC1
InChIInChI=1S/C15H19NO3/c17-15(5-7-18-8-6-15)11-16-10-13-9-12-3-1-2-4-14(12)19-13/h1-4,9,16-17H,5-8,10-11H2
InChIKeyFBLYFXXHOGSONG-UHFFFAOYSA-N
XLogP2.06
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one
CID 78995923
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol
CID 81130244
4-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]thian-4-ol
CID 111778111
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol
CID 154842269
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]oxan-4-ol
CID 79032623

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol (CID 78928712) is 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol is OC1(CNCc2cc3ccccc3o2)CCOCC1.
What is the InChIKey of 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol?
The InChIKey is FBLYFXXHOGSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(5-7-18-8-6-15)11-16-10-13-9-12-3-1-2-4-14(12)19-13/h1-4,9,16-17H,5-8,10-11H2.
What are the key properties of 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol?
4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol has a molecular weight of 261.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 78928712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).