N-iodo-N-methoxyaniline

C7H8INO — CID 142027982

IUPACN-iodo-N-methoxyaniline
SMILESCON(I)c1ccccc1
InChIInChI=1S/C7H8INO/c1-10-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyOWVKJOBREDAEDT-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.40
Rot. Bonds2

About N-iodo-N-methoxyaniline

N-iodo-N-methoxyaniline (PubChem CID 142027982) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is N-iodo-N-methoxyaniline.

Molecular Properties

Compound NameN-iodo-N-methoxyaniline
PubChem CID142027982
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC NameN-iodo-N-methoxyaniline
SMILESCON(I)c1ccccc1
InChIInChI=1S/C7H8INO/c1-10-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyOWVKJOBREDAEDT-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
1,3-dimethoxy-1,3-diphenylurea
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N-bromo-N-iodoaniline
CID 91511421
ethene;N-methyl-N-phenylaniline
CID 144541479
N-methoxy-N-phenylpyridin-4-amine
CID 23202301
4-fluoro-N-methoxy-N-phenylaniline
CID 88537361
3-(N-methoxyanilino)propanoic acid
CID 159444920
CID 68827824
CID 68827824
N,N-dimethylaniline
CID 70392672
1-iodo-1-phenylhydrazine;hydrochloride
CID 53433717
1-methoxy-1-phenylurea
CID 15620442
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methoxyaniline?
The IUPAC name of N-iodo-N-methoxyaniline (CID 142027982) is N-iodo-N-methoxyaniline.
What is the SMILES notation for N-iodo-N-methoxyaniline?
The canonical SMILES for N-iodo-N-methoxyaniline is CON(I)c1ccccc1.
What is the InChIKey of N-iodo-N-methoxyaniline?
The InChIKey is OWVKJOBREDAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c1-10-9(8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of N-iodo-N-methoxyaniline?
N-iodo-N-methoxyaniline has a molecular weight of 249.05 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methoxyaniline is sourced from PubChem (CID 142027982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).