2-iodo-4,6-dimethylaniline

C8H10IN — CID 14040290

IUPAC2-iodo-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(I)c1
InChIInChI=1S/C8H10IN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKeyODPOIEACUVQCBZ-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.49
Rot. Bonds

About 2-iodo-4,6-dimethylaniline

2-iodo-4,6-dimethylaniline (PubChem CID 14040290) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-iodo-4,6-dimethylaniline.

Molecular Properties

Compound Name2-iodo-4,6-dimethylaniline
PubChem CID14040290
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name2-iodo-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(I)c1
InChIInChI=1S/C8H10IN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKeyODPOIEACUVQCBZ-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,6-dimethylaniline?
The IUPAC name of 2-iodo-4,6-dimethylaniline (CID 14040290) is 2-iodo-4,6-dimethylaniline.
What is the SMILES notation for 2-iodo-4,6-dimethylaniline?
The canonical SMILES for 2-iodo-4,6-dimethylaniline is Cc1cc(C)c(N)c(I)c1.
What is the InChIKey of 2-iodo-4,6-dimethylaniline?
The InChIKey is ODPOIEACUVQCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3.
What are the key properties of 2-iodo-4,6-dimethylaniline?
2-iodo-4,6-dimethylaniline has a molecular weight of 247.08 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,6-dimethylaniline is sourced from PubChem (CID 14040290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).