N-(3-bromophenyl)oxetan-3-amine

C9H10BrNO — CID 63623648

IUPACN-(3-bromophenyl)oxetan-3-amine
SMILESBrc1cccc(NC2COC2)c1
InChIInChI=1S/C9H10BrNO/c10-7-2-1-3-8(4-7)11-9-5-12-6-9/h1-4,9,11H,5-6H2
InChIKeyXLZSRWMYTXALJH-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.26
Rot. Bonds2

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

N-(3-bromophenyl)oxetan-3-amine (PubChem CID 63623648) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-(3-bromophenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)oxetan-3-amine
PubChem CID63623648
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-(3-bromophenyl)oxetan-3-amine
SMILESBrc1cccc(NC2COC2)c1
InChIInChI=1S/C9H10BrNO/c10-7-2-1-3-8(4-7)11-9-5-12-6-9/h1-4,9,11H,5-6H2
InChIKeyXLZSRWMYTXALJH-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)oxetan-3-amine?
The IUPAC name of N-(3-bromophenyl)oxetan-3-amine (CID 63623648) is N-(3-bromophenyl)oxetan-3-amine.
What is the SMILES notation for N-(3-bromophenyl)oxetan-3-amine?
The canonical SMILES for N-(3-bromophenyl)oxetan-3-amine is Brc1cccc(NC2COC2)c1.
What is the InChIKey of N-(3-bromophenyl)oxetan-3-amine?
The InChIKey is XLZSRWMYTXALJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/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-bromophenyl)oxetan-3-amine?
N-(3-bromophenyl)oxetan-3-amine has a molecular weight of 228.09 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)oxetan-3-amine is sourced from PubChem (CID 63623648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).