bis[2-(aminomethyl)-4-iodophenyl]methanone

C15H14I2N2O — CID 150547440

IUPACbis[2-(aminomethyl)-4-iodophenyl]methanone
SMILESNCc1cc(I)ccc1C(=O)c1ccc(I)cc1CN
InChIInChI=1S/C15H14I2N2O/c16-11-1-3-13(9(5-11)7-18)15(20)14-4-2-12(17)6-10(14)8-19/h1-6H,7-8,18-19H2
InChIKeyIHDUHKYQZSHJMI-UHFFFAOYSA-N
MW492.10 g/mol
LogP3.04
Rot. Bonds4

About bis[2-(aminomethyl)-4-iodophenyl]methanone

bis[2-(aminomethyl)-4-iodophenyl]methanone (PubChem CID 150547440) has the molecular formula C15H14I2N2O and a molecular weight of 492.10 g/mol. Its IUPAC name is bis[2-(aminomethyl)-4-iodophenyl]methanone.

Molecular Properties

Compound Namebis[2-(aminomethyl)-4-iodophenyl]methanone
PubChem CID150547440
Molecular FormulaC15H14I2N2O
Molecular Weight492.10 g/mol
Exact Mass491.92
IUPAC Namebis[2-(aminomethyl)-4-iodophenyl]methanone
SMILESNCc1cc(I)ccc1C(=O)c1ccc(I)cc1CN
InChIInChI=1S/C15H14I2N2O/c16-11-1-3-13(9(5-11)7-18)15(20)14-4-2-12(17)6-10(14)8-19/h1-6H,7-8,18-19H2
InChIKeyIHDUHKYQZSHJMI-UHFFFAOYSA-N
XLogP3.04
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.10
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[2-(aminomethyl)-4-iodophenyl]methanone 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 bis[2-(aminomethyl)-4-iodophenyl]methanone?
The IUPAC name of bis[2-(aminomethyl)-4-iodophenyl]methanone (CID 150547440) is bis[2-(aminomethyl)-4-iodophenyl]methanone.
What is the SMILES notation for bis[2-(aminomethyl)-4-iodophenyl]methanone?
The canonical SMILES for bis[2-(aminomethyl)-4-iodophenyl]methanone is NCc1cc(I)ccc1C(=O)c1ccc(I)cc1CN.
What is the InChIKey of bis[2-(aminomethyl)-4-iodophenyl]methanone?
The InChIKey is IHDUHKYQZSHJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14I2N2O/c16-11-1-3-13(9(5-11)7-18)15(20)14-4-2-12(17)6-10(14)8-19/h1-6H,7-8,18-19H2.
What are the key properties of bis[2-(aminomethyl)-4-iodophenyl]methanone?
bis[2-(aminomethyl)-4-iodophenyl]methanone has a molecular weight of 492.10 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(aminomethyl)-4-iodophenyl]methanone is sourced from PubChem (CID 150547440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).