4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline

C13H17FINO — CID 79769252

IUPAC4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
SMILESCOC1CCCC(Nc2ccc(F)cc2I)C1
InChIInChI=1S/C13H17FINO/c1-17-11-4-2-3-10(8-11)16-13-6-5-9(14)7-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3
InChIKeyXAQUMHCLJCUIAV-UHFFFAOYSA-N
MW349.19 g/mol
LogP3.80
Rot. Bonds3

About 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline

4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline (PubChem CID 79769252) has the molecular formula C13H17FINO and a molecular weight of 349.19 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
PubChem CID79769252
Molecular FormulaC13H17FINO
Molecular Weight349.19 g/mol
Exact Mass349.03
IUPAC Name4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
SMILESCOC1CCCC(Nc2ccc(F)cc2I)C1
InChIInChI=1S/C13H17FINO/c1-17-11-4-2-3-10(8-11)16-13-6-5-9(14)7-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3
InChIKeyXAQUMHCLJCUIAV-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline (CID 79769252) is 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline is COC1CCCC(Nc2ccc(F)cc2I)C1.
What is the InChIKey of 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline?
The InChIKey is XAQUMHCLJCUIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FINO/c1-17-11-4-2-3-10(8-11)16-13-6-5-9(14)7-12(13)15/h5-7,10-11,16H,2-4,8H2,1H3.
What are the key properties of 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline?
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline has a molecular weight of 349.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline is sourced from PubChem (CID 79769252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).