4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline

C14H20N2O — CID 89065676

IUPAC4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline
SMILESCOc1cc(N2C3CCCC2CC3)ccc1N
InChIInChI=1S/C14H20N2O/c1-17-14-9-12(7-8-13(14)15)16-10-3-2-4-11(16)6-5-10/h7-11H,2-6,15H2,1H3
InChIKeyBVEKWJHULAKAKK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds2

About 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline

4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline (PubChem CID 89065676) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline
PubChem CID89065676
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline
SMILESCOc1cc(N2C3CCCC2CC3)ccc1N
InChIInChI=1S/C14H20N2O/c1-17-14-9-12(7-8-13(14)15)16-10-3-2-4-11(16)6-5-10/h7-11H,2-6,15H2,1H3
InChIKeyBVEKWJHULAKAKK-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
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 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline (CID 89065676) is 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline is COc1cc(N2C3CCCC2CC3)ccc1N.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline?
The InChIKey is BVEKWJHULAKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-14-9-12(7-8-13(14)15)16-10-3-2-4-11(16)6-5-10/h7-11H,2-6,15H2,1H3.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline?
4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline has a molecular weight of 232.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline is sourced from PubChem (CID 89065676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).