2-chloro-4-iodo-N-pentan-2-ylaniline

C11H15ClIN — CID 43733727

IUPAC2-chloro-4-iodo-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClIN/c1-3-4-8(2)14-11-6-5-9(13)7-10(11)12/h5-8,14H,3-4H2,1-2H3
InChIKeyAAJVNXJUPJKIEV-UHFFFAOYSA-N
MW323.61 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-4-iodo-N-pentan-2-ylaniline

2-chloro-4-iodo-N-pentan-2-ylaniline (PubChem CID 43733727) has the molecular formula C11H15ClIN and a molecular weight of 323.61 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-pentan-2-ylaniline
PubChem CID43733727
Molecular FormulaC11H15ClIN
Molecular Weight323.61 g/mol
Exact Mass322.99
IUPAC Name2-chloro-4-iodo-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClIN/c1-3-4-8(2)14-11-6-5-9(13)7-10(11)12/h5-8,14H,3-4H2,1-2H3
InChIKeyAAJVNXJUPJKIEV-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 54.55
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-4-iodo-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64631157
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
2-chloro-4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63445453
N-butyl-2-chloro-4-iodoaniline
CID 43733829
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
4-bromo-2,3-dichloro-N-pentan-2-ylaniline
CID 107787687
2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43733719
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-pentan-2-ylaniline?
The IUPAC name of 2-chloro-4-iodo-N-pentan-2-ylaniline (CID 43733727) is 2-chloro-4-iodo-N-pentan-2-ylaniline.
What is the SMILES notation for 2-chloro-4-iodo-N-pentan-2-ylaniline?
The canonical SMILES for 2-chloro-4-iodo-N-pentan-2-ylaniline is CCCC(C)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-N-pentan-2-ylaniline?
The InChIKey is AAJVNXJUPJKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN/c1-3-4-8(2)14-11-6-5-9(13)7-10(11)12/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-iodo-N-pentan-2-ylaniline?
2-chloro-4-iodo-N-pentan-2-ylaniline has a molecular weight of 323.61 g/mol, XLogP of 4.55, 4 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-pentan-2-ylaniline is sourced from PubChem (CID 43733727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).