3-[[ethyl(iodo)amino]methyl]-5-methylphenol

C10H14INO — CID 143282615

IUPAC3-[[ethyl(iodo)amino]methyl]-5-methylphenol
SMILESCCN(I)Cc1cc(C)cc(O)c1
InChIInChI=1S/C10H14INO/c1-3-12(11)7-9-4-8(2)5-10(13)6-9/h4-6,13H,3,7H2,1-2H3
InChIKeyXHLVXEJYGHONKX-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.87
Rot. Bonds3

About 3-[[ethyl(iodo)amino]methyl]-5-methylphenol

3-[[ethyl(iodo)amino]methyl]-5-methylphenol (PubChem CID 143282615) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 3-[[ethyl(iodo)amino]methyl]-5-methylphenol.

Molecular Properties

Compound Name3-[[ethyl(iodo)amino]methyl]-5-methylphenol
PubChem CID143282615
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name3-[[ethyl(iodo)amino]methyl]-5-methylphenol
SMILESCCN(I)Cc1cc(C)cc(O)c1
InChIInChI=1S/C10H14INO/c1-3-12(11)7-9-4-8(2)5-10(13)6-9/h4-6,13H,3,7H2,1-2H3
InChIKeyXHLVXEJYGHONKX-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(iodo)amino]methyl]-5-methylphenol?
The IUPAC name of 3-[[ethyl(iodo)amino]methyl]-5-methylphenol (CID 143282615) is 3-[[ethyl(iodo)amino]methyl]-5-methylphenol.
What is the SMILES notation for 3-[[ethyl(iodo)amino]methyl]-5-methylphenol?
The canonical SMILES for 3-[[ethyl(iodo)amino]methyl]-5-methylphenol is CCN(I)Cc1cc(C)cc(O)c1.
What is the InChIKey of 3-[[ethyl(iodo)amino]methyl]-5-methylphenol?
The InChIKey is XHLVXEJYGHONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-3-12(11)7-9-4-8(2)5-10(13)6-9/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 3-[[ethyl(iodo)amino]methyl]-5-methylphenol?
3-[[ethyl(iodo)amino]methyl]-5-methylphenol has a molecular weight of 291.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(iodo)amino]methyl]-5-methylphenol is sourced from PubChem (CID 143282615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).