2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol

C17H18INO — CID 139234170

IUPAC2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol
SMILESCC/C(=N\Cc1ccccc1)c1cc(C)cc(I)c1O
InChIInChI=1S/C17H18INO/c1-3-16(19-11-13-7-5-4-6-8-13)14-9-12(2)10-15(18)17(14)20/h4-10,20H,3,11H2,1-2H3/b19-16+
InChIKeyGGFAPGQAEHOVKD-KNTRCKAVSA-N
MW379.24 g/mol
LogP4.70
Rot. Bonds4

About 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol

2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol (PubChem CID 139234170) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol.

Molecular Properties

Compound Name2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol
PubChem CID139234170
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC Name2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol
SMILESCC/C(=N\Cc1ccccc1)c1cc(C)cc(I)c1O
InChIInChI=1S/C17H18INO/c1-3-16(19-11-13-7-5-4-6-8-13)14-9-12(2)10-15(18)17(14)20/h4-10,20H,3,11H2,1-2H3/b19-16+
InChIKeyGGFAPGQAEHOVKD-KNTRCKAVSA-N
XLogP4.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-phenylpentan-1-imine
CID 20688068
N'-benzylpropanimidamide
CID 45122449
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide
CID 4065035
CID 13440858
CID 13440858
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one
CID 136756877
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 3353937
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
N-benzyl-1,1-di(selenophen-2-yl)methanimine
CID 132543807

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol?
The IUPAC name of 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol (CID 139234170) is 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol.
What is the SMILES notation for 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol?
The canonical SMILES for 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol is CC/C(=N\Cc1ccccc1)c1cc(C)cc(I)c1O.
What is the InChIKey of 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol?
The InChIKey is GGFAPGQAEHOVKD-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H18INO/c1-3-16(19-11-13-7-5-4-6-8-13)14-9-12(2)10-15(18)17(14)20/h4-10,20H,3,11H2,1-2H3/b19-16+.
What are the key properties of 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol?
2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol has a molecular weight of 379.24 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol is sourced from PubChem (CID 139234170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).