1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine

C17H20INO2 — CID 115864340

IUPAC1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H20INO2/c1-19-16(10-12-4-6-13(18)7-5-12)15-11-14(20-2)8-9-17(15)21-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyQGMKETIBQUWRRE-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.81
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 115864340) has the molecular formula C17H20INO2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID115864340
Molecular FormulaC17H20INO2
Molecular Weight397.26 g/mol
Exact Mass397.05
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1cc(OC)ccc1OC
InChIInChI=1S/C17H20INO2/c1-19-16(10-12-4-6-13(18)7-5-12)15-11-14(20-2)8-9-17(15)21-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyQGMKETIBQUWRRE-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'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
[1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310306
[2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105310239
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030714
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(2-bromo-5-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065958
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 115864340) is 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is QGMKETIBQUWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO2/c1-19-16(10-12-4-6-13(18)7-5-12)15-11-14(20-2)8-9-17(15)21-3/h4-9,11,16,19H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(2,5-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-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115864340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).