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

C9H10N2O2 — CID 84656369

IUPAC2-(1,2-benzoxazol-6-yloxy)ethanamine
SMILESNCCOc1ccc2cnoc2c1
InChIInChI=1S/C9H10N2O2/c10-3-4-12-8-2-1-7-6-11-13-9(7)5-8/h1-2,5-6H,3-4,10H2
InChIKeyNMNPRVAUDFPDSY-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.17
Rot. Bonds3

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

2-(1,2-benzoxazol-6-yloxy)ethanamine (PubChem CID 84656369) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-6-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1,2-benzoxazol-6-yloxy)ethanamine
PubChem CID84656369
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(1,2-benzoxazol-6-yloxy)ethanamine
SMILESNCCOc1ccc2cnoc2c1
InChIInChI=1S/C9H10N2O2/c10-3-4-12-8-2-1-7-6-11-13-9(7)5-8/h1-2,5-6H,3-4,10H2
InChIKeyNMNPRVAUDFPDSY-UHFFFAOYSA-N
XLogP1.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-aminoethoxy)chromen-2-one
CID 82506816
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethanamine
CID 141070530
2-(1-methylindazol-6-yl)oxyethanamine
CID 84663334
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-dibenzofuran-3-yloxyethanamine
CID 18615231
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
2-quinolin-3-yloxyethanamine
CID 84661473

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-6-yloxy)ethanamine?
The IUPAC name of 2-(1,2-benzoxazol-6-yloxy)ethanamine (CID 84656369) is 2-(1,2-benzoxazol-6-yloxy)ethanamine.
What is the SMILES notation for 2-(1,2-benzoxazol-6-yloxy)ethanamine?
The canonical SMILES for 2-(1,2-benzoxazol-6-yloxy)ethanamine is NCCOc1ccc2cnoc2c1.
What is the InChIKey of 2-(1,2-benzoxazol-6-yloxy)ethanamine?
The InChIKey is NMNPRVAUDFPDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-3-4-12-8-2-1-7-6-11-13-9(7)5-8/h1-2,5-6H,3-4,10H2.
What are the key properties of 2-(1,2-benzoxazol-6-yloxy)ethanamine?
2-(1,2-benzoxazol-6-yloxy)ethanamine has a molecular weight of 178.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-6-yloxy)ethanamine is sourced from PubChem (CID 84656369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).