N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine

C10H11Br2NO — CID 63623093

IUPACN-(2,6-dibromo-4-methylphenyl)oxetan-3-amine
SMILESCc1cc(Br)c(NC2COC2)c(Br)c1
InChIInChI=1S/C10H11Br2NO/c1-6-2-8(11)10(9(12)3-6)13-7-4-14-5-7/h2-3,7,13H,4-5H2,1H3
InChIKeyMYCSTRLTTYOWPU-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.33
Rot. Bonds2

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

N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine (PubChem CID 63623093) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)oxetan-3-amine
PubChem CID63623093
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC NameN-(2,6-dibromo-4-methylphenyl)oxetan-3-amine
SMILESCc1cc(Br)c(NC2COC2)c(Br)c1
InChIInChI=1S/C10H11Br2NO/c1-6-2-8(11)10(9(12)3-6)13-7-4-14-5-7/h2-3,7,13H,4-5H2,1H3
InChIKeyMYCSTRLTTYOWPU-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine (CID 63623093) is N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine is Cc1cc(Br)c(NC2COC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine?
The InChIKey is MYCSTRLTTYOWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-6-2-8(11)10(9(12)3-6)13-7-4-14-5-7/h2-3,7,13H,4-5H2,1H3.
What are the key properties of N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine?
N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine has a molecular weight of 321.01 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine is sourced from PubChem (CID 63623093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).