2-phenylazocine;hydrobromide

C13H12BrN — CID 66675402

IUPAC2-phenylazocine;hydrobromide
SMILESBr.C1=CC=C/C(c2ccccc2)=N\C=C1
InChIInChI=1S/C13H11N.BrH/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12;/h1-11H;1H/b2-1?,6-1?,7-2?,10-6?,11-7?,13-10?,14-11?,14-13+;
InChIKeyKSVAPFIFIBJJMI-OLEUPMBJSA-N
MW262.15 g/mol
LogP3.69
Rot. Bonds1

About 2-phenylazocine;hydrobromide

2-phenylazocine;hydrobromide (PubChem CID 66675402) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-phenylazocine;hydrobromide.

Molecular Properties

Compound Name2-phenylazocine;hydrobromide
PubChem CID66675402
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name2-phenylazocine;hydrobromide
SMILESBr.C1=CC=C/C(c2ccccc2)=N\C=C1
InChIInChI=1S/C13H11N.BrH/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12;/h1-11H;1H/b2-1?,6-1?,7-2?,10-6?,11-7?,13-10?,14-11?,14-13+;
InChIKeyKSVAPFIFIBJJMI-OLEUPMBJSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylazocine;hydrobromide?
The IUPAC name of 2-phenylazocine;hydrobromide (CID 66675402) is 2-phenylazocine;hydrobromide.
What is the SMILES notation for 2-phenylazocine;hydrobromide?
The canonical SMILES for 2-phenylazocine;hydrobromide is Br.C1=CC=C/C(c2ccccc2)=N\C=C1.
What is the InChIKey of 2-phenylazocine;hydrobromide?
The InChIKey is KSVAPFIFIBJJMI-OLEUPMBJSA-N. The full InChI is InChI=1S/C13H11N.BrH/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12;/h1-11H;1H/b2-1?,6-1?,7-2?,10-6?,11-7?,13-10?,14-11?,14-13+;.
What are the key properties of 2-phenylazocine;hydrobromide?
2-phenylazocine;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylazocine;hydrobromide is sourced from PubChem (CID 66675402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).