2-iodo-4-methoxy-N-methylaniline

C8H10INO — CID 11010799

IUPAC2-iodo-4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)cc1I
InChIInChI=1S/C8H10INO/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,1-2H3
InChIKeyMMQDZDZZNKUFRB-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.34
Rot. Bonds2

About 2-iodo-4-methoxy-N-methylaniline

2-iodo-4-methoxy-N-methylaniline (PubChem CID 11010799) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-iodo-4-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-iodo-4-methoxy-N-methylaniline
PubChem CID11010799
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name2-iodo-4-methoxy-N-methylaniline
SMILESCNc1ccc(OC)cc1I
InChIInChI=1S/C8H10INO/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,1-2H3
InChIKeyMMQDZDZZNKUFRB-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,2-diiodo-4-methoxyaniline
CID 162265353
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
5-methoxy-2-(methylamino)benzamide
CID 66991664
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
5-methoxy-N-methyl-2-(methylideneamino)aniline
CID 143659024
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
5-iodo-2-methoxy-N-methylaniline
CID 82267247
6-methoxy-N-methylnaphthalen-1-amine
CID 15933755
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-iodo-5-methoxyaniline
CID 11139508

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-N-methylaniline?
The IUPAC name of 2-iodo-4-methoxy-N-methylaniline (CID 11010799) is 2-iodo-4-methoxy-N-methylaniline.
What is the SMILES notation for 2-iodo-4-methoxy-N-methylaniline?
The canonical SMILES for 2-iodo-4-methoxy-N-methylaniline is CNc1ccc(OC)cc1I.
What is the InChIKey of 2-iodo-4-methoxy-N-methylaniline?
The InChIKey is MMQDZDZZNKUFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,1-2H3.
What are the key properties of 2-iodo-4-methoxy-N-methylaniline?
2-iodo-4-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 2-iodo-4-methoxy-N-methylaniline is sourced from PubChem (CID 11010799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).