5-iodo-2-methoxy-N-methylaniline

C8H10INO — CID 82267247

IUPAC5-iodo-2-methoxy-N-methylaniline
SMILESCNc1cc(I)ccc1OC
InChIInChI=1S/C8H10INO/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5,10H,1-2H3
InChIKeyXHYXYPOZVQBFMZ-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.34
Rot. Bonds2

About 5-iodo-2-methoxy-N-methylaniline

5-iodo-2-methoxy-N-methylaniline (PubChem CID 82267247) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is 5-iodo-2-methoxy-N-methylaniline.

Molecular Properties

Compound Name5-iodo-2-methoxy-N-methylaniline
PubChem CID82267247
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name5-iodo-2-methoxy-N-methylaniline
SMILESCNc1cc(I)ccc1OC
InChIInChI=1S/C8H10INO/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5,10H,1-2H3
InChIKeyXHYXYPOZVQBFMZ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
5-(1-fluoroethyl)-2-methoxy-N-methylaniline
CID 84659165
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
1,4-diiodo-2-methoxybenzene
CID 23154690
2-methoxy-N-methyl-5-(2-methylpropyl)aniline
CID 138652047
1-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481161
2-iodo-4-methoxy-N-methylaniline
CID 11010799
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methoxy-N-methylaniline?
The IUPAC name of 5-iodo-2-methoxy-N-methylaniline (CID 82267247) is 5-iodo-2-methoxy-N-methylaniline.
What is the SMILES notation for 5-iodo-2-methoxy-N-methylaniline?
The canonical SMILES for 5-iodo-2-methoxy-N-methylaniline is CNc1cc(I)ccc1OC.
What is the InChIKey of 5-iodo-2-methoxy-N-methylaniline?
The InChIKey is XHYXYPOZVQBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5,10H,1-2H3.
What are the key properties of 5-iodo-2-methoxy-N-methylaniline?
5-iodo-2-methoxy-N-methylaniline has a molecular weight of 263.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methoxy-N-methylaniline is sourced from PubChem (CID 82267247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).