2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline

C14H12ClI2N — CID 43788776

IUPAC2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H12ClI2N/c1-9(10-2-4-11(16)5-3-10)18-14-7-6-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyRPCYTMZWKNIUSI-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.72
Rot. Bonds3

About 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline

2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline (PubChem CID 43788776) has the molecular formula C14H12ClI2N and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
PubChem CID43788776
Molecular FormulaC14H12ClI2N
Molecular Weight483.52 g/mol
Exact Mass482.87
IUPAC Name2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccc(I)cc1
InChIInChI=1S/C14H12ClI2N/c1-9(10-2-4-11(16)5-3-10)18-14-7-6-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyRPCYTMZWKNIUSI-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.72
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-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline
CID 107631198
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
CID 66065911
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline (CID 43788776) is 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline is CC(Nc1ccc(I)cc1Cl)c1ccc(I)cc1.
What is the InChIKey of 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline?
The InChIKey is RPCYTMZWKNIUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClI2N/c1-9(10-2-4-11(16)5-3-10)18-14-7-6-12(17)8-13(14)15/h2-9,18H,1H3.
What are the key properties of 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline?
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline has a molecular weight of 483.52 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline is sourced from PubChem (CID 43788776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).