4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline

C15H20FN5 — CID 79871398

IUPAC4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline
SMILESCC1(C)CCCCC1n1nnnc1-c1ccc(N)c(F)c1
InChIInChI=1S/C15H20FN5/c1-15(2)8-4-3-5-13(15)21-14(18-19-20-21)10-6-7-12(17)11(16)9-10/h6-7,9,13H,3-5,8,17H2,1-2H3
InChIKeyXOYCCRMDHBYFEM-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.20
Rot. Bonds2

About 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline

4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline (PubChem CID 79871398) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline
PubChem CID79871398
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline
SMILESCC1(C)CCCCC1n1nnnc1-c1ccc(N)c(F)c1
InChIInChI=1S/C15H20FN5/c1-15(2)8-4-3-5-13(15)21-14(18-19-20-21)10-6-7-12(17)11(16)9-10/h6-7,9,13H,3-5,8,17H2,1-2H3
InChIKeyXOYCCRMDHBYFEM-UHFFFAOYSA-N
XLogP3.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline 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-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline?
The IUPAC name of 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline (CID 79871398) is 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline.
What is the SMILES notation for 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline?
The canonical SMILES for 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline is CC1(C)CCCCC1n1nnnc1-c1ccc(N)c(F)c1.
What is the InChIKey of 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline?
The InChIKey is XOYCCRMDHBYFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-15(2)8-4-3-5-13(15)21-14(18-19-20-21)10-6-7-12(17)11(16)9-10/h6-7,9,13H,3-5,8,17H2,1-2H3.
What are the key properties of 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline?
4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline has a molecular weight of 289.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline is sourced from PubChem (CID 79871398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).