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

C16H14INO2 — CID 62484970

IUPAC[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2cccc(I)c2)oc2ccccc12
InChIInChI=1S/C16H14INO2/c17-11-4-3-5-12(8-11)19-10-16-14(9-18)13-6-1-2-7-15(13)20-16/h1-8H,9-10,18H2
InChIKeyGUMKDPAMAIKMPG-UHFFFAOYSA-N
MW379.20 g/mol
LogP4.08
Rot. Bonds4

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

[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 62484970) has the molecular formula C16H14INO2 and a molecular weight of 379.20 g/mol. Its IUPAC name is [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
PubChem CID62484970
Molecular FormulaC16H14INO2
Molecular Weight379.20 g/mol
Exact Mass379.01
IUPAC Name[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine
SMILESNCc1c(COc2cccc(I)c2)oc2ccccc12
InChIInChI=1S/C16H14INO2/c17-11-4-3-5-12(8-11)19-10-16-14(9-18)13-6-1-2-7-15(13)20-16/h1-8H,9-10,18H2
InChIKeyGUMKDPAMAIKMPG-UHFFFAOYSA-N
XLogP4.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine 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

[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-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62485686
[2-[(4-bromo-2-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484613
[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 63217029
1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62458875
[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62486744
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
CID 117172164
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
[2-[(3-methoxy-3-methylbutoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 106667673
[2-(but-2-enoxymethyl)-1-benzofuran-3-yl]methanamine
CID 76943731

Frequently Asked Questions

What is the IUPAC name of [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine (CID 62484970) is [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine is NCc1c(COc2cccc(I)c2)oc2ccccc12.
What is the InChIKey of [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is GUMKDPAMAIKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO2/c17-11-4-3-5-12(8-11)19-10-16-14(9-18)13-6-1-2-7-15(13)20-16/h1-8H,9-10,18H2.
What are the key properties of [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine?
[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 379.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 62484970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).