N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline

C14H19FIN — CID 79769375

IUPACN-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
SMILESCC1CCC(C)C(Nc2ccc(F)cc2I)C1
InChIInChI=1S/C14H19FIN/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyRXIARJPOOMUFOC-UHFFFAOYSA-N
MW347.22 g/mol
LogP4.67
Rot. Bonds2

About N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline

N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline (PubChem CID 79769375) has the molecular formula C14H19FIN and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
PubChem CID79769375
Molecular FormulaC14H19FIN
Molecular Weight347.22 g/mol
Exact Mass347.05
IUPAC NameN-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
SMILESCC1CCC(C)C(Nc2ccc(F)cc2I)C1
InChIInChI=1S/C14H19FIN/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyRXIARJPOOMUFOC-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline (CID 79769375) is N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline is CC1CCC(C)C(Nc2ccc(F)cc2I)C1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline?
The InChIKey is RXIARJPOOMUFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FIN/c1-9-3-4-10(2)14(7-9)17-13-6-5-11(15)8-12(13)16/h5-6,8-10,14,17H,3-4,7H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline?
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline has a molecular weight of 347.22 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).