2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine

C9H9BrN2O — CID 84800743

IUPAC2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine
SMILESNCCc1onc2cc(Br)ccc12
InChIInChI=1S/C9H9BrN2O/c10-6-1-2-7-8(5-6)12-13-9(7)3-4-11/h1-2,5H,3-4,11H2
InChIKeyUQTZYRUGYRUGQB-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.09
Rot. Bonds2

About 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine

2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine (PubChem CID 84800743) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine
PubChem CID84800743
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine
SMILESNCCc1onc2cc(Br)ccc12
InChIInChI=1S/C9H9BrN2O/c10-6-1-2-7-8(5-6)12-13-9(7)3-4-11/h1-2,5H,3-4,11H2
InChIKeyUQTZYRUGYRUGQB-UHFFFAOYSA-N
XLogP2.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-2,1-benzoxazol-3-yl)methyl]-N-methylhydroxylamine
CID 84805431
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811803
(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337
2-(2,4-dibromophenyl)ethanamine
CID 73012416
6-bromo-3-pyrrolidin-3-yl-2,1-benzoxazole
CID 84808001
5-bromo-3-methyl-2,1-benzoxazole;ethane
CID 90694027
3-(6-bromo-3-methylindazol-2-yl)propan-1-amine
CID 84729922
2-(3-bromo-1,2-oxazol-5-yl)ethanamine
CID 53407331
2-(6-bromo-1-benzofuran-2-yl)ethanamine
CID 71291046
6-bromo-3-ethyl-1,2-benzoxazole
CID 105483617
1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone
CID 15556349

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine?
The IUPAC name of 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine (CID 84800743) is 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine?
The canonical SMILES for 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine is NCCc1onc2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine?
The InChIKey is UQTZYRUGYRUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-6-1-2-7-8(5-6)12-13-9(7)3-4-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine?
2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine has a molecular weight of 241.09 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,1-benzoxazol-3-yl)ethanamine is sourced from PubChem (CID 84800743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).