4-(1-bicyclo[2.2.2]octanyloxy)aniline

C14H19NO — CID 6453380

IUPAC4-(1-bicyclo[2.2.2]octanyloxy)aniline
SMILESNc1ccc(OC23CCC(CC2)CC3)cc1
InChIInChI=1S/C14H19NO/c15-12-1-3-13(4-2-12)16-14-8-5-11(6-9-14)7-10-14/h1-4,11H,5-10,15H2
InChIKeyFUPJBGLBTIPIJW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.37
Rot. Bonds2

About 4-(1-bicyclo[2.2.2]octanyloxy)aniline

4-(1-bicyclo[2.2.2]octanyloxy)aniline (PubChem CID 6453380) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.2]octanyloxy)aniline.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.2]octanyloxy)aniline
PubChem CID6453380
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(1-bicyclo[2.2.2]octanyloxy)aniline
SMILESNc1ccc(OC23CCC(CC2)CC3)cc1
InChIInChI=1S/C14H19NO/c15-12-1-3-13(4-2-12)16-14-8-5-11(6-9-14)7-10-14/h1-4,11H,5-10,15H2
InChIKeyFUPJBGLBTIPIJW-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.2]octanyloxy)aniline?
The IUPAC name of 4-(1-bicyclo[2.2.2]octanyloxy)aniline (CID 6453380) is 4-(1-bicyclo[2.2.2]octanyloxy)aniline.
What is the SMILES notation for 4-(1-bicyclo[2.2.2]octanyloxy)aniline?
The canonical SMILES for 4-(1-bicyclo[2.2.2]octanyloxy)aniline is Nc1ccc(OC23CCC(CC2)CC3)cc1.
What is the InChIKey of 4-(1-bicyclo[2.2.2]octanyloxy)aniline?
The InChIKey is FUPJBGLBTIPIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-12-1-3-13(4-2-12)16-14-8-5-11(6-9-14)7-10-14/h1-4,11H,5-10,15H2.
What are the key properties of 4-(1-bicyclo[2.2.2]octanyloxy)aniline?
4-(1-bicyclo[2.2.2]octanyloxy)aniline has a molecular weight of 217.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.2]octanyloxy)aniline is sourced from PubChem (CID 6453380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).