(2,6-diiodophenyl)methanamine

C7H7I2N — CID 165176750

IUPAC(2,6-diiodophenyl)methanamine
SMILESNCc1c(I)cccc1I
InChIInChI=1S/C7H7I2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKeyBVHPYFUKRMZNPM-UHFFFAOYSA-N
MW358.95 g/mol
LogP2.35
Rot. Bonds1

About (2,6-diiodophenyl)methanamine

(2,6-diiodophenyl)methanamine (PubChem CID 165176750) has the molecular formula C7H7I2N and a molecular weight of 358.95 g/mol. Its IUPAC name is (2,6-diiodophenyl)methanamine.

Molecular Properties

Compound Name(2,6-diiodophenyl)methanamine
PubChem CID165176750
Molecular FormulaC7H7I2N
Molecular Weight358.95 g/mol
Exact Mass358.87
IUPAC Name(2,6-diiodophenyl)methanamine
SMILESNCc1c(I)cccc1I
InChIInChI=1S/C7H7I2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKeyBVHPYFUKRMZNPM-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.95
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,6-diiodophenyl)methanamine 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 (2,6-diiodophenyl)methanamine?
The IUPAC name of (2,6-diiodophenyl)methanamine (CID 165176750) is (2,6-diiodophenyl)methanamine.
What is the SMILES notation for (2,6-diiodophenyl)methanamine?
The canonical SMILES for (2,6-diiodophenyl)methanamine is NCc1c(I)cccc1I.
What is the InChIKey of (2,6-diiodophenyl)methanamine?
The InChIKey is BVHPYFUKRMZNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2.
What are the key properties of (2,6-diiodophenyl)methanamine?
(2,6-diiodophenyl)methanamine has a molecular weight of 358.95 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diiodophenyl)methanamine is sourced from PubChem (CID 165176750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).