4-chloro-N-cyclohexyl-2-iodoaniline

C12H15ClIN — CID 107631445

IUPAC4-chloro-N-cyclohexyl-2-iodoaniline
SMILESClc1ccc(NC2CCCCC2)c(I)c1
InChIInChI=1S/C12H15ClIN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyPWTCTXMFUJXURK-UHFFFAOYSA-N
MW335.62 g/mol
LogP4.69
Rot. Bonds2

About 4-chloro-N-cyclohexyl-2-iodoaniline

4-chloro-N-cyclohexyl-2-iodoaniline (PubChem CID 107631445) has the molecular formula C12H15ClIN and a molecular weight of 335.62 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-2-iodoaniline
PubChem CID107631445
Molecular FormulaC12H15ClIN
Molecular Weight335.62 g/mol
Exact Mass334.99
IUPAC Name4-chloro-N-cyclohexyl-2-iodoaniline
SMILESClc1ccc(NC2CCCCC2)c(I)c1
InChIInChI=1S/C12H15ClIN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyPWTCTXMFUJXURK-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 54.69
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

4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
N-(4-chloro-2-iodophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107631697
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine
CID 107632504
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-2-iodoaniline?
The IUPAC name of 4-chloro-N-cyclohexyl-2-iodoaniline (CID 107631445) is 4-chloro-N-cyclohexyl-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-cyclohexyl-2-iodoaniline?
The canonical SMILES for 4-chloro-N-cyclohexyl-2-iodoaniline is Clc1ccc(NC2CCCCC2)c(I)c1.
What is the InChIKey of 4-chloro-N-cyclohexyl-2-iodoaniline?
The InChIKey is PWTCTXMFUJXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2.
What are the key properties of 4-chloro-N-cyclohexyl-2-iodoaniline?
4-chloro-N-cyclohexyl-2-iodoaniline has a molecular weight of 335.62 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-2-iodoaniline is sourced from PubChem (CID 107631445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).