2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline

C14H20N2O — CID 89164220

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
SMILESNc1ccccc1COC1CC2CCC(C1)N2
InChIInChI=1S/C14H20N2O/c15-14-4-2-1-3-10(14)9-17-13-7-11-5-6-12(8-13)16-11/h1-4,11-13,16H,5-9,15H2
InChIKeyQPISLYZDSQBKEJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline

2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline (PubChem CID 89164220) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
PubChem CID89164220
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline
SMILESNc1ccccc1COC1CC2CCC(C1)N2
InChIInChI=1S/C14H20N2O/c15-14-4-2-1-3-10(14)9-17-13-7-11-5-6-12(8-13)16-11/h1-4,11-13,16H,5-9,15H2
InChIKeyQPISLYZDSQBKEJ-UHFFFAOYSA-N
XLogP2.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline (CID 89164220) is 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline is Nc1ccccc1COC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline?
The InChIKey is QPISLYZDSQBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-14-4-2-1-3-10(14)9-17-13-7-11-5-6-12(8-13)16-11/h1-4,11-13,16H,5-9,15H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline?
2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline has a molecular weight of 232.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)aniline is sourced from PubChem (CID 89164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).