3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol

C14H19NO3 — CID 103848442

IUPAC3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc3c(c2)CCO3)CCOC1
InChIInChI=1S/C14H19NO3/c16-14(4-6-17-10-14)9-15-8-11-1-2-13-12(7-11)3-5-18-13/h1-2,7,15-16H,3-6,8-10H2
InChIKeyHBXYCYXAGPSEIE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.86
Rot. Bonds4

About 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol

3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol (PubChem CID 103848442) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
PubChem CID103848442
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCc2ccc3c(c2)CCO3)CCOC1
InChIInChI=1S/C14H19NO3/c16-14(4-6-17-10-14)9-15-8-11-1-2-13-12(7-11)3-5-18-13/h1-2,7,15-16H,3-6,8-10H2
InChIKeyHBXYCYXAGPSEIE-UHFFFAOYSA-N
XLogP0.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-2-ol
CID 115121424
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol (CID 103848442) is 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol is OC1(CNCc2ccc3c(c2)CCO3)CCOC1.
What is the InChIKey of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol?
The InChIKey is HBXYCYXAGPSEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(4-6-17-10-14)9-15-8-11-1-2-13-12(7-11)3-5-18-13/h1-2,7,15-16H,3-6,8-10H2.
What are the key properties of 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol?
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol has a molecular weight of 249.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 103848442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).