2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile

C11H12N2O2 — CID 102625001

IUPAC2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile
SMILESN#CCc1cc(OC2COC2)ccc1N
InChIInChI=1S/C11H12N2O2/c12-4-3-8-5-9(1-2-11(8)13)15-10-6-14-7-10/h1-2,5,10H,3,6-7,13H2
InChIKeyKORNQTIRHMASJC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.11
Rot. Bonds3

About 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile

2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile (PubChem CID 102625001) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile
PubChem CID102625001
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile
SMILESN#CCc1cc(OC2COC2)ccc1N
InChIInChI=1S/C11H12N2O2/c12-4-3-8-5-9(1-2-11(8)13)15-10-6-14-7-10/h1-2,5,10H,3,6-7,13H2
InChIKeyKORNQTIRHMASJC-UHFFFAOYSA-N
XLogP1.11
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile (CID 102625001) is 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile is N#CCc1cc(OC2COC2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile?
The InChIKey is KORNQTIRHMASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-4-3-8-5-9(1-2-11(8)13)15-10-6-14-7-10/h1-2,5,10H,3,6-7,13H2.
What are the key properties of 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile?
2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile is sourced from PubChem (CID 102625001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).