N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine

C15H18INO2 — CID 55077107

IUPACN-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cccc(I)c2)o1
InChIInChI=1S/C15H18INO2/c1-2-8-17-10-14-6-7-15(19-14)11-18-13-5-3-4-12(16)9-13/h3-7,9,17H,2,8,10-11H2,1H3
InChIKeyOYFMMHNBIGCRQZ-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.96
Rot. Bonds7

About N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 55077107) has the molecular formula C15H18INO2 and a molecular weight of 371.22 g/mol. Its IUPAC name is N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID55077107
Molecular FormulaC15H18INO2
Molecular Weight371.22 g/mol
Exact Mass371.04
IUPAC NameN-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cccc(I)c2)o1
InChIInChI=1S/C15H18INO2/c1-2-8-17-10-14-6-7-15(19-14)11-18-13-5-3-4-12(16)9-13/h3-7,9,17H,2,8,10-11H2,1H3
InChIKeyOYFMMHNBIGCRQZ-UHFFFAOYSA-N
XLogP3.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine 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

N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline
CID 62484354
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62484968
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63491815
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
2-[(3-iodophenoxy)methyl]-N-propylprop-2-en-1-amine
CID 103066884
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
N-[[5-(3-iodophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620568

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine (CID 55077107) is N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COc2cccc(I)c2)o1.
What is the InChIKey of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is OYFMMHNBIGCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO2/c1-2-8-17-10-14-6-7-15(19-14)11-18-13-5-3-4-12(16)9-13/h3-7,9,17H,2,8,10-11H2,1H3.
What are the key properties of N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 371.22 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55077107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).