2-(1,2-benzoxazol-3-ylmethoxy)ethanamine

C10H12N2O2 — CID 18696224

IUPAC2-(1,2-benzoxazol-3-ylmethoxy)ethanamine
SMILESNCCOCc1noc2ccccc12
InChIInChI=1S/C10H12N2O2/c11-5-6-13-7-9-8-3-1-2-4-10(8)14-12-9/h1-4H,5-7,11H2
InChIKeyHISNTXREJYBBFW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.30
Rot. Bonds4

About 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine

2-(1,2-benzoxazol-3-ylmethoxy)ethanamine (PubChem CID 18696224) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-ylmethoxy)ethanamine
PubChem CID18696224
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(1,2-benzoxazol-3-ylmethoxy)ethanamine
SMILESNCCOCc1noc2ccccc12
InChIInChI=1S/C10H12N2O2/c11-5-6-13-7-9-8-3-1-2-4-10(8)14-12-9/h1-4H,5-7,11H2
InChIKeyHISNTXREJYBBFW-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine?
The IUPAC name of 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine (CID 18696224) is 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine?
The canonical SMILES for 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine is NCCOCc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine?
The InChIKey is HISNTXREJYBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-5-6-13-7-9-8-3-1-2-4-10(8)14-12-9/h1-4H,5-7,11H2.
What are the key properties of 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine?
2-(1,2-benzoxazol-3-ylmethoxy)ethanamine has a molecular weight of 192.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-ylmethoxy)ethanamine is sourced from PubChem (CID 18696224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).