2-iodo-N,N-dimethylaniline

C8H10IN — CID 3013933

IUPAC2-iodo-N,N-dimethylaniline
SMILESCN(C)c1ccccc1I
InChIInChI=1S/C8H10IN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyDDQWSLFKVLTRDN-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.36
Rot. Bonds1

About 2-iodo-N,N-dimethylaniline

2-iodo-N,N-dimethylaniline (PubChem CID 3013933) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-iodo-N,N-dimethylaniline.

Molecular Properties

Compound Name2-iodo-N,N-dimethylaniline
PubChem CID3013933
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name2-iodo-N,N-dimethylaniline
SMILESCN(C)c1ccccc1I
InChIInChI=1S/C8H10IN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeyDDQWSLFKVLTRDN-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodo-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N-dimethylaniline?
The IUPAC name of 2-iodo-N,N-dimethylaniline (CID 3013933) is 2-iodo-N,N-dimethylaniline.
What is the SMILES notation for 2-iodo-N,N-dimethylaniline?
The canonical SMILES for 2-iodo-N,N-dimethylaniline is CN(C)c1ccccc1I.
What is the InChIKey of 2-iodo-N,N-dimethylaniline?
The InChIKey is DDQWSLFKVLTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3.
What are the key properties of 2-iodo-N,N-dimethylaniline?
2-iodo-N,N-dimethylaniline has a molecular weight of 247.08 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N-dimethylaniline is sourced from PubChem (CID 3013933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).