4-(3,5-dibromophenoxy)butan-1-amine

C10H13Br2NO — CID 58473620

IUPAC4-(3,5-dibromophenoxy)butan-1-amine
SMILESNCCCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2NO/c11-8-5-9(12)7-10(6-8)14-4-2-1-3-13/h5-7H,1-4,13H2
InChIKeyZNWVTLOVHOEYBJ-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.33
Rot. Bonds5

About 4-(3,5-dibromophenoxy)butan-1-amine

4-(3,5-dibromophenoxy)butan-1-amine (PubChem CID 58473620) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 4-(3,5-dibromophenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(3,5-dibromophenoxy)butan-1-amine
PubChem CID58473620
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name4-(3,5-dibromophenoxy)butan-1-amine
SMILESNCCCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H13Br2NO/c11-8-5-9(12)7-10(6-8)14-4-2-1-3-13/h5-7H,1-4,13H2
InChIKeyZNWVTLOVHOEYBJ-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromophenoxy)butan-1-amine?
The IUPAC name of 4-(3,5-dibromophenoxy)butan-1-amine (CID 58473620) is 4-(3,5-dibromophenoxy)butan-1-amine.
What is the SMILES notation for 4-(3,5-dibromophenoxy)butan-1-amine?
The canonical SMILES for 4-(3,5-dibromophenoxy)butan-1-amine is NCCCCOc1cc(Br)cc(Br)c1.
What is the InChIKey of 4-(3,5-dibromophenoxy)butan-1-amine?
The InChIKey is ZNWVTLOVHOEYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c11-8-5-9(12)7-10(6-8)14-4-2-1-3-13/h5-7H,1-4,13H2.
What are the key properties of 4-(3,5-dibromophenoxy)butan-1-amine?
4-(3,5-dibromophenoxy)butan-1-amine has a molecular weight of 323.03 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromophenoxy)butan-1-amine is sourced from PubChem (CID 58473620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).