N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline

C16H23FIN — CID 79769068

IUPACN-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
SMILESCC(C)(C)C1CCCCC1Nc1ccc(F)cc1I
InChIInChI=1S/C16H23FIN/c1-16(2,3)12-6-4-5-7-14(12)19-15-9-8-11(17)10-13(15)18/h8-10,12,14,19H,4-7H2,1-3H3
InChIKeyOKKPPIRQTHSJQU-UHFFFAOYSA-N
MW375.27 g/mol
LogP5.45
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline

N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline (PubChem CID 79769068) has the molecular formula C16H23FIN and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
PubChem CID79769068
Molecular FormulaC16H23FIN
Molecular Weight375.27 g/mol
Exact Mass375.09
IUPAC NameN-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
SMILESCC(C)(C)C1CCCCC1Nc1ccc(F)cc1I
InChIInChI=1S/C16H23FIN/c1-16(2,3)12-6-4-5-7-14(12)19-15-9-8-11(17)10-13(15)18/h8-10,12,14,19H,4-7H2,1-3H3
InChIKeyOKKPPIRQTHSJQU-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.27
LogP ≤ 55.45
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-tert-butylcyclohexyl)-2-fluoro-4-methylaniline
CID 43114249
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
N-(2-tert-butylcyclohexyl)-2-fluoro-5-methylaniline
CID 43122819
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79768740
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009
tert-butyl N-[[2-(4-fluoro-2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103731044
N-(2-tert-butylcyclohexyl)-3-fluoro-2-methylaniline
CID 55191425
N-(2-tert-butylcyclohexyl)-3,4-difluoroaniline
CID 43095485

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline?
The IUPAC name of N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline (CID 79769068) is N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline is CC(C)(C)C1CCCCC1Nc1ccc(F)cc1I.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline?
The InChIKey is OKKPPIRQTHSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FIN/c1-16(2,3)12-6-4-5-7-14(12)19-15-9-8-11(17)10-13(15)18/h8-10,12,14,19H,4-7H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline?
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline has a molecular weight of 375.27 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).