3-(5-bromo-2-chlorophenyl)oxetan-3-amine

C9H9BrClNO — CID 134828100

IUPAC3-(5-bromo-2-chlorophenyl)oxetan-3-amine
SMILESNC1(c2cc(Br)ccc2Cl)COC1
InChIInChI=1S/C9H9BrClNO/c10-6-1-2-8(11)7(3-6)9(12)4-13-5-9/h1-3H,4-5,12H2
InChIKeyFAODOORGXVPQRY-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.29
Rot. Bonds1

About 3-(5-bromo-2-chlorophenyl)oxetan-3-amine

3-(5-bromo-2-chlorophenyl)oxetan-3-amine (PubChem CID 134828100) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)oxetan-3-amine
PubChem CID134828100
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name3-(5-bromo-2-chlorophenyl)oxetan-3-amine
SMILESNC1(c2cc(Br)ccc2Cl)COC1
InChIInChI=1S/C9H9BrClNO/c10-6-1-2-8(11)7(3-6)9(12)4-13-5-9/h1-3H,4-5,12H2
InChIKeyFAODOORGXVPQRY-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-fluorophenyl)oxetan-3-amine
CID 155977887
3-(4-bromo-2-nitrophenyl)oxetan-3-amine
CID 131359705
1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
CID 117439047
4-bromo-1-chloro-2-(1-isocyanatocyclopropyl)benzene
CID 117434213
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
3-(5-bromo-2-methylphenyl)oxetan-3-ol
CID 116873033
1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
CID 167713410
3-(5-bromo-2-chlorophenyl)pyrrolidin-3-ol
CID 117103942
1-(5-bromo-2-chlorophenyl)cyclopentan-1-ol;4-chloro-3-(1-hydroxycyclopentyl)benzaldehyde
CID 160538863
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
2-[4-(3-aminooxetan-3-yl)-3-chlorophenyl]propanoic acid
CID 130407670
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)oxetan-3-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)oxetan-3-amine (CID 134828100) is 3-(5-bromo-2-chlorophenyl)oxetan-3-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)oxetan-3-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)oxetan-3-amine is NC1(c2cc(Br)ccc2Cl)COC1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)oxetan-3-amine?
The InChIKey is FAODOORGXVPQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-6-1-2-8(11)7(3-6)9(12)4-13-5-9/h1-3H,4-5,12H2.
What are the key properties of 3-(5-bromo-2-chlorophenyl)oxetan-3-amine?
3-(5-bromo-2-chlorophenyl)oxetan-3-amine has a molecular weight of 262.53 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)oxetan-3-amine is sourced from PubChem (CID 134828100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).