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

C15H14Cl2IN — CID 115863090

IUPAC2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C15H14Cl2IN/c1-19-15(10-2-5-13(18)6-3-10)9-11-8-12(16)4-7-14(11)17/h2-8,15,19H,9H2,1H3
InChIKeyMAEBRMWXUUZBMJ-UHFFFAOYSA-N
MW406.09 g/mol
LogP5.10
Rot. Bonds4

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

2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine (PubChem CID 115863090) has the molecular formula C15H14Cl2IN and a molecular weight of 406.09 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
PubChem CID115863090
Molecular FormulaC15H14Cl2IN
Molecular Weight406.09 g/mol
Exact Mass404.95
IUPAC Name2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C15H14Cl2IN/c1-19-15(10-2-5-13(18)6-3-10)9-11-8-12(16)4-7-14(11)17/h2-8,15,19H,9H2,1H3
InChIKeyMAEBRMWXUUZBMJ-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.09
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 115863017
1-(4-bromo-3-chlorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863277
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
CID 115802046
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115863105
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387
1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864311
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 107539162
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine (CID 115863090) is 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1Cl)c1ccc(I)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine?
The InChIKey is MAEBRMWXUUZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2IN/c1-19-15(10-2-5-13(18)6-3-10)9-11-8-12(16)4-7-14(11)17/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine?
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine has a molecular weight of 406.09 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115863090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).