N-(2,4,6-tribromophenyl)oxetan-3-amine

C9H8Br3NO — CID 63623094

IUPACN-(2,4,6-tribromophenyl)oxetan-3-amine
SMILESBrc1cc(Br)c(NC2COC2)c(Br)c1
InChIInChI=1S/C9H8Br3NO/c10-5-1-7(11)9(8(12)2-5)13-6-3-14-4-6/h1-2,6,13H,3-4H2
InChIKeyHLPXCZKTQPCOEY-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.78
Rot. Bonds2

About N-(2,4,6-tribromophenyl)oxetan-3-amine

N-(2,4,6-tribromophenyl)oxetan-3-amine (PubChem CID 63623094) has the molecular formula C9H8Br3NO and a molecular weight of 385.88 g/mol. Its IUPAC name is N-(2,4,6-tribromophenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2,4,6-tribromophenyl)oxetan-3-amine
PubChem CID63623094
Molecular FormulaC9H8Br3NO
Molecular Weight385.88 g/mol
Exact Mass382.82
IUPAC NameN-(2,4,6-tribromophenyl)oxetan-3-amine
SMILESBrc1cc(Br)c(NC2COC2)c(Br)c1
InChIInChI=1S/C9H8Br3NO/c10-5-1-7(11)9(8(12)2-5)13-6-3-14-4-6/h1-2,6,13H,3-4H2
InChIKeyHLPXCZKTQPCOEY-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-tribromophenyl)oxetan-3-amine?
The IUPAC name of N-(2,4,6-tribromophenyl)oxetan-3-amine (CID 63623094) is N-(2,4,6-tribromophenyl)oxetan-3-amine.
What is the SMILES notation for N-(2,4,6-tribromophenyl)oxetan-3-amine?
The canonical SMILES for N-(2,4,6-tribromophenyl)oxetan-3-amine is Brc1cc(Br)c(NC2COC2)c(Br)c1.
What is the InChIKey of N-(2,4,6-tribromophenyl)oxetan-3-amine?
The InChIKey is HLPXCZKTQPCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3NO/c10-5-1-7(11)9(8(12)2-5)13-6-3-14-4-6/h1-2,6,13H,3-4H2.
What are the key properties of N-(2,4,6-tribromophenyl)oxetan-3-amine?
N-(2,4,6-tribromophenyl)oxetan-3-amine has a molecular weight of 385.88 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-tribromophenyl)oxetan-3-amine is sourced from PubChem (CID 63623094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).