2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine

C16H16Cl2IN — CID 115839956

IUPAC2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1
InChIInChI=1S/C16H16Cl2IN/c1-2-20-16(11-4-7-14(19)8-5-11)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyURNNDIZWJURNKN-UHFFFAOYSA-N
MW420.12 g/mol
LogP5.49
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine

2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine (PubChem CID 115839956) has the molecular formula C16H16Cl2IN and a molecular weight of 420.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
PubChem CID115839956
Molecular FormulaC16H16Cl2IN
Molecular Weight420.12 g/mol
Exact Mass418.97
IUPAC Name2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1
InChIInChI=1S/C16H16Cl2IN/c1-2-20-16(11-4-7-14(19)8-5-11)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyURNNDIZWJURNKN-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.12
LogP ≤ 55.49
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

N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839245
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine (CID 115839956) is 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The InChIKey is URNNDIZWJURNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2IN/c1-2-20-16(11-4-7-14(19)8-5-11)9-12-3-6-13(17)10-15(12)18/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine has a molecular weight of 420.12 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115839956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).