3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol

C15H21NO — CID 22015306

IUPAC3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
SMILESCC1C2CCCC1(c1cccc(O)c1)CCN2
InChIInChI=1S/C15H21NO/c1-11-14-6-3-7-15(11,8-9-16-14)12-4-2-5-13(17)10-12/h2,4-5,10-11,14,16-17H,3,6-9H2,1H3
InChIKeyPIDNUOVCERQEPR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.81
Rot. Bonds1

About 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol

3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol (PubChem CID 22015306) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol.

Molecular Properties

Compound Name3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
PubChem CID22015306
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
SMILESCC1C2CCCC1(c1cccc(O)c1)CCN2
InChIInChI=1S/C15H21NO/c1-11-14-6-3-7-15(11,8-9-16-14)12-4-2-5-13(17)10-12/h2,4-5,10-11,14,16-17H,3,6-9H2,1H3
InChIKeyPIDNUOVCERQEPR-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
The IUPAC name of 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol (CID 22015306) is 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol.
What is the SMILES notation for 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
The canonical SMILES for 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol is CC1C2CCCC1(c1cccc(O)c1)CCN2.
What is the InChIKey of 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
The InChIKey is PIDNUOVCERQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-14-6-3-7-15(11,8-9-16-14)12-4-2-5-13(17)10-12/h2,4-5,10-11,14,16-17H,3,6-9H2,1H3.
What are the key properties of 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol?
3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol has a molecular weight of 231.34 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol is sourced from PubChem (CID 22015306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).