N-(3-iodophenyl)oxetan-3-amine

C9H10INO — CID 63622911

IUPACN-(3-iodophenyl)oxetan-3-amine
SMILESIc1cccc(NC2COC2)c1
InChIInChI=1S/C9H10INO/c10-7-2-1-3-8(4-7)11-9-5-12-6-9/h1-4,9,11H,5-6H2
InChIKeyRUHHXPNFCFZLGO-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.10
Rot. Bonds2

About N-(3-iodophenyl)oxetan-3-amine

N-(3-iodophenyl)oxetan-3-amine (PubChem CID 63622911) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is N-(3-iodophenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)oxetan-3-amine
PubChem CID63622911
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC NameN-(3-iodophenyl)oxetan-3-amine
SMILESIc1cccc(NC2COC2)c1
InChIInChI=1S/C9H10INO/c10-7-2-1-3-8(4-7)11-9-5-12-6-9/h1-4,9,11H,5-6H2
InChIKeyRUHHXPNFCFZLGO-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)oxetan-3-amine?
The IUPAC name of N-(3-iodophenyl)oxetan-3-amine (CID 63622911) is N-(3-iodophenyl)oxetan-3-amine.
What is the SMILES notation for N-(3-iodophenyl)oxetan-3-amine?
The canonical SMILES for N-(3-iodophenyl)oxetan-3-amine is Ic1cccc(NC2COC2)c1.
What is the InChIKey of N-(3-iodophenyl)oxetan-3-amine?
The InChIKey is RUHHXPNFCFZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c10-7-2-1-3-8(4-7)11-9-5-12-6-9/h1-4,9,11H,5-6H2.
What are the key properties of N-(3-iodophenyl)oxetan-3-amine?
N-(3-iodophenyl)oxetan-3-amine has a molecular weight of 275.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)oxetan-3-amine is sourced from PubChem (CID 63622911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).