3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol

C9H14INO3 — CID 66169874

IUPAC3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(I)o1
InChIInChI=1S/C9H14INO3/c1-9(13,6-12)5-11-4-7-2-3-8(10)14-7/h2-3,11-13H,4-6H2,1H3
InChIKeyGIWAHAFXFSKOSD-UHFFFAOYSA-N
MW311.12 g/mol
LogP0.72
Rot. Bonds5

About 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol

3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66169874) has the molecular formula C9H14INO3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66169874
Molecular FormulaC9H14INO3
Molecular Weight311.12 g/mol
Exact Mass311.00
IUPAC Name3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(I)o1
InChIInChI=1S/C9H14INO3/c1-9(13,6-12)5-11-4-7-2-3-8(10)14-7/h2-3,11-13H,4-6H2,1H3
InChIKeyGIWAHAFXFSKOSD-UHFFFAOYSA-N
XLogP0.72
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106245884
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
2-ethyl-2-[(5-iodofuran-2-yl)methylamino]propane-1,3-diol
CID 107864899
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2,3-dimethylbutan-2-ol
CID 111466769
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 66170449
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol (CID 66169874) is 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCc1ccc(I)o1.
What is the InChIKey of 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is GIWAHAFXFSKOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14INO3/c1-9(13,6-12)5-11-4-7-2-3-8(10)14-7/h2-3,11-13H,4-6H2,1H3.
What are the key properties of 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol?
3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 311.12 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).