1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine

C17H20INO2 — CID 115863936

IUPAC1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(OC)cc1OC
InChIInChI=1S/C17H20INO2/c1-19-16(10-12-4-6-13(18)7-5-12)15-9-8-14(20-2)11-17(15)21-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyZSPANRJAISLVAF-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.81
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 115863936) has the molecular formula C17H20INO2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID115863936
Molecular FormulaC17H20INO2
Molecular Weight397.26 g/mol
Exact Mass397.05
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(OC)cc1OC
InChIInChI=1S/C17H20INO2/c1-19-16(10-12-4-6-13(18)7-5-12)15-9-8-14(20-2)11-17(15)21-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyZSPANRJAISLVAF-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine 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-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
[1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310306
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 115863936) is 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is ZSPANRJAISLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO2/c1-19-16(10-12-4-6-13(18)7-5-12)15-9-8-14(20-2)11-17(15)21-3/h4-9,11,16,19H,10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine has a molecular weight of 397.26 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115863936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).