1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

C16H18INO2 — CID 43483638

IUPAC1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H18INO2/c1-18-16(11-5-4-6-12(17)9-11)14-8-7-13(19-2)10-15(14)20-3/h4-10,16,18H,1-3H3
InChIKeyIRGVIFQITAJIDB-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.62
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 43483638) has the molecular formula C16H18INO2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID43483638
Molecular FormulaC16H18INO2
Molecular Weight383.23 g/mol
Exact Mass383.04
IUPAC Name1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H18INO2/c1-18-16(11-5-4-6-12(17)9-11)14-8-7-13(19-2)10-15(14)20-3/h4-10,16,18H,1-3H3
InChIKeyIRGVIFQITAJIDB-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43485031
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
1-(2,4-dimethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114819922
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
1-(2,4-dimethoxyphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 63555606
1-(2,4-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79212518
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 43483638) is 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is IRGVIFQITAJIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2/c1-18-16(11-5-4-6-12(17)9-11)14-8-7-13(19-2)10-15(14)20-3/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 383.23 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43483638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).