N-(2,5-dibromophenyl)oxolan-3-amine

C10H11Br2NO — CID 63335357

IUPACN-(2,5-dibromophenyl)oxolan-3-amine
SMILESBrc1ccc(Br)c(NC2CCOC2)c1
InChIInChI=1S/C10H11Br2NO/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyGICFIAILBOICQV-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.41
Rot. Bonds2

About N-(2,5-dibromophenyl)oxolan-3-amine

N-(2,5-dibromophenyl)oxolan-3-amine (PubChem CID 63335357) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)oxolan-3-amine
PubChem CID63335357
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC NameN-(2,5-dibromophenyl)oxolan-3-amine
SMILESBrc1ccc(Br)c(NC2CCOC2)c1
InChIInChI=1S/C10H11Br2NO/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyGICFIAILBOICQV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)oxolan-3-amine?
The IUPAC name of N-(2,5-dibromophenyl)oxolan-3-amine (CID 63335357) is N-(2,5-dibromophenyl)oxolan-3-amine.
What is the SMILES notation for N-(2,5-dibromophenyl)oxolan-3-amine?
The canonical SMILES for N-(2,5-dibromophenyl)oxolan-3-amine is Brc1ccc(Br)c(NC2CCOC2)c1.
What is the InChIKey of N-(2,5-dibromophenyl)oxolan-3-amine?
The InChIKey is GICFIAILBOICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c11-7-1-2-9(12)10(5-7)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of N-(2,5-dibromophenyl)oxolan-3-amine?
N-(2,5-dibromophenyl)oxolan-3-amine has a molecular weight of 321.01 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)oxolan-3-amine is sourced from PubChem (CID 63335357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).