3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide

C13H18BrNO — CID 67026991

IUPAC3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide
SMILESBr.Oc1cccc(C2CC3CCC(C2)N3)c1
InChIInChI=1S/C13H17NO.BrH/c15-13-3-1-2-9(8-13)10-6-11-4-5-12(7-10)14-11;/h1-3,8,10-12,14-15H,4-7H2;1H
InChIKeyBGTVOWNEWDNTHY-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.97
Rot. Bonds1

About 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide

3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide (PubChem CID 67026991) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide
PubChem CID67026991
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide
SMILESBr.Oc1cccc(C2CC3CCC(C2)N3)c1
InChIInChI=1S/C13H17NO.BrH/c15-13-3-1-2-9(8-13)10-6-11-4-5-12(7-10)14-11;/h1-3,8,10-12,14-15H,4-7H2;1H
InChIKeyBGTVOWNEWDNTHY-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide 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 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide (CID 67026991) is 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide is Br.Oc1cccc(C2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide?
The InChIKey is BGTVOWNEWDNTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.BrH/c15-13-3-1-2-9(8-13)10-6-11-4-5-12(7-10)14-11;/h1-3,8,10-12,14-15H,4-7H2;1H.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide?
3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide has a molecular weight of 284.20 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide is sourced from PubChem (CID 67026991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).