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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Related Compounds

3-[(1R,5R,9S)-2,9-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol;hydrochloride
CID 45262435
3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 129386349
3-[(3aS,6aS)-1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]phenol
CID 102361150
1-methyl-4a-phenyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 20534407
3-[(5aR,8aS)-2-methyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol;hydrochloride
CID 86736364
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol
CID 54327511
3-[(3aR,7aR)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]phenol
CID 102234492
3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
CID 3045738
(2S,4S)-4-(3-hydroxyphenyl)-4-methylpiperidine-2-carboxylic acid
CID 124636179
3-[7-methyl-6-(3-methylbut-2-enyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol;hydrobromide
CID 3045773
3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
CID 23332344
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
CID 11052767

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).