3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

C10H11IN2O — CID 130871179

IUPAC3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESNC1=NC(c2ccccc2I)COC1
InChIInChI=1S/C10H11IN2O/c11-8-4-2-1-3-7(8)9-5-14-6-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)
InChIKeyCSVPGUUAPKFRRN-UHFFFAOYSA-N
MW302.11 g/mol
LogP1.72
Rot. Bonds1

About 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 130871179) has the molecular formula C10H11IN2O and a molecular weight of 302.11 g/mol. Its IUPAC name is 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Name3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID130871179
Molecular FormulaC10H11IN2O
Molecular Weight302.11 g/mol
Exact Mass301.99
IUPAC Name3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESNC1=NC(c2ccccc2I)COC1
InChIInChI=1S/C10H11IN2O/c11-8-4-2-1-3-7(8)9-5-14-6-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)
InChIKeyCSVPGUUAPKFRRN-UHFFFAOYSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine 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 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 130871179) is 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is NC1=NC(c2ccccc2I)COC1.
What is the InChIKey of 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is CSVPGUUAPKFRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c11-8-4-2-1-3-7(8)9-5-14-6-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13).
What are the key properties of 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 302.11 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 130871179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).