3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine

C10H10Br2N2O3 — CID 66349811

IUPAC3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2c(Br)cc([N+](=O)[O-])cc2Br)C1
InChIInChI=1S/C10H10Br2N2O3/c11-8-3-6(14(15)16)4-9(12)10(8)17-7-1-5(13)2-7/h3-5,7H,1-2,13H2
InChIKeyRMLKUVOYUSPKRJ-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.99
Rot. Bonds3

About 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine

3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine (PubChem CID 66349811) has the molecular formula C10H10Br2N2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine
PubChem CID66349811
Molecular FormulaC10H10Br2N2O3
Molecular Weight366.01 g/mol
Exact Mass363.91
IUPAC Name3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2c(Br)cc([N+](=O)[O-])cc2Br)C1
InChIInChI=1S/C10H10Br2N2O3/c11-8-3-6(14(15)16)4-9(12)10(8)17-7-1-5(13)2-7/h3-5,7H,1-2,13H2
InChIKeyRMLKUVOYUSPKRJ-UHFFFAOYSA-N
XLogP2.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine (CID 66349811) is 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine is NC1CC(Oc2c(Br)cc([N+](=O)[O-])cc2Br)C1.
What is the InChIKey of 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine?
The InChIKey is RMLKUVOYUSPKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3/c11-8-3-6(14(15)16)4-9(12)10(8)17-7-1-5(13)2-7/h3-5,7H,1-2,13H2.
What are the key properties of 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine?
3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine has a molecular weight of 366.01 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromo-4-nitrophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66349811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).