4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol

C15H21NO — CID 57485516

IUPAC4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
SMILESCN1CCC2(c3ccc(O)cc3)CCCC1C2
InChIInChI=1S/C15H21NO/c1-16-10-9-15(8-2-3-13(16)11-15)12-4-6-14(17)7-5-12/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeyZSVWIUVAGFSGLQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds1

About 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol

4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol (PubChem CID 57485516) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol.

Molecular Properties

Compound Name4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
PubChem CID57485516
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
SMILESCN1CCC2(c3ccc(O)cc3)CCCC1C2
InChIInChI=1S/C15H21NO/c1-16-10-9-15(8-2-3-13(16)11-15)12-4-6-14(17)7-5-12/h4-7,13,17H,2-3,8-11H2,1H3
InChIKeyZSVWIUVAGFSGLQ-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol 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-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
The IUPAC name of 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol (CID 57485516) is 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol.
What is the SMILES notation for 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
The canonical SMILES for 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol is CN1CCC2(c3ccc(O)cc3)CCCC1C2.
What is the InChIKey of 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
The InChIKey is ZSVWIUVAGFSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-10-9-15(8-2-3-13(16)11-15)12-4-6-14(17)7-5-12/h4-7,13,17H,2-3,8-11H2,1H3.
What are the key properties of 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol has a molecular weight of 231.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol is sourced from PubChem (CID 57485516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).