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

C9H10N2O — CID 84764513

IUPAC2-(2,1-benzoxazol-6-yl)ethanamine
SMILESNCCc1ccc2conc2c1
InChIInChI=1S/C9H10N2O/c10-4-3-7-1-2-8-6-12-11-9(8)5-7/h1-2,5-6H,3-4,10H2
InChIKeySCEKZFKAQUBIKE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.33
Rot. Bonds2

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

2-(2,1-benzoxazol-6-yl)ethanamine (PubChem CID 84764513) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(2,1-benzoxazol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2,1-benzoxazol-6-yl)ethanamine
PubChem CID84764513
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(2,1-benzoxazol-6-yl)ethanamine
SMILESNCCc1ccc2conc2c1
InChIInChI=1S/C9H10N2O/c10-4-3-7-1-2-8-6-12-11-9(8)5-7/h1-2,5-6H,3-4,10H2
InChIKeySCEKZFKAQUBIKE-UHFFFAOYSA-N
XLogP1.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
6-chloro-2,1-benzoxazole
CID 14361545
5-hexyl-2,1-benzoxazole
CID 67428242
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
2-(1,2-benzothiazol-5-yl)ethanamine
CID 82599946
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-(2-ethylbenzotriazol-5-yl)ethanamine
CID 84719598
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-[5-(aminomethyl)-1,3-benzoxazol-2-yl]ethanamine
CID 83949471
3-quinolin-7-ylpropan-1-amine
CID 55268089
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151

Frequently Asked Questions

What is the IUPAC name of 2-(2,1-benzoxazol-6-yl)ethanamine?
The IUPAC name of 2-(2,1-benzoxazol-6-yl)ethanamine (CID 84764513) is 2-(2,1-benzoxazol-6-yl)ethanamine.
What is the SMILES notation for 2-(2,1-benzoxazol-6-yl)ethanamine?
The canonical SMILES for 2-(2,1-benzoxazol-6-yl)ethanamine is NCCc1ccc2conc2c1.
What is the InChIKey of 2-(2,1-benzoxazol-6-yl)ethanamine?
The InChIKey is SCEKZFKAQUBIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-4-3-7-1-2-8-6-12-11-9(8)5-7/h1-2,5-6H,3-4,10H2.
What are the key properties of 2-(2,1-benzoxazol-6-yl)ethanamine?
2-(2,1-benzoxazol-6-yl)ethanamine has a molecular weight of 162.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1-benzoxazol-6-yl)ethanamine is sourced from PubChem (CID 84764513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).