1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

C17H16INO2 — CID 62485686

IUPAC1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COc2cccc(I)c2)oc2ccccc12
InChIInChI=1S/C17H16INO2/c1-19-10-15-14-7-2-3-8-16(14)21-17(15)11-20-13-6-4-5-12(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyZAZCAIKAYVCSAV-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.34
Rot. Bonds5

About 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62485686) has the molecular formula C17H16INO2 and a molecular weight of 393.22 g/mol. Its IUPAC name is 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62485686
Molecular FormulaC17H16INO2
Molecular Weight393.22 g/mol
Exact Mass393.02
IUPAC Name1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COc2cccc(I)c2)oc2ccccc12
InChIInChI=1S/C17H16INO2/c1-19-10-15-14-7-2-3-8-16(14)21-17(15)11-20-13-6-4-5-12(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyZAZCAIKAYVCSAV-UHFFFAOYSA-N
XLogP4.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62458875
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484970
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[2-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 62442014
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443571
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (CID 62485686) is 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is CNCc1c(COc2cccc(I)c2)oc2ccccc12.
What is the InChIKey of 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is ZAZCAIKAYVCSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO2/c1-19-10-15-14-7-2-3-8-16(14)21-17(15)11-20-13-6-4-5-12(18)9-13/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 393.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62485686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).