4-bromodibenzofuran-2-amine

C12H8BrNO — CID 122462972

IUPAC4-bromodibenzofuran-2-amine
SMILESNc1cc(Br)c2oc3ccccc3c2c1
InChIInChI=1S/C12H8BrNO/c13-10-6-7(14)5-9-8-3-1-2-4-11(8)15-12(9)10/h1-6H,14H2
InChIKeyOPXUDQNXFFXQRK-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.93
Rot. Bonds

About 4-bromodibenzofuran-2-amine

4-bromodibenzofuran-2-amine (PubChem CID 122462972) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-bromodibenzofuran-2-amine.

Molecular Properties

Compound Name4-bromodibenzofuran-2-amine
PubChem CID122462972
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name4-bromodibenzofuran-2-amine
SMILESNc1cc(Br)c2oc3ccccc3c2c1
InChIInChI=1S/C12H8BrNO/c13-10-6-7(14)5-9-8-3-1-2-4-11(8)15-12(9)10/h1-6H,14H2
InChIKeyOPXUDQNXFFXQRK-UHFFFAOYSA-N
XLogP3.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminodibenzofuran-4-ol
CID 68822281
4-bromo-2-propan-2-yldibenzofuran
CID 166912960
4-bromodibenzofuran-3-amine
CID 142749742
4-bromodibenzofuran;4-phenylaniline
CID 122673561
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
dibenzofuran-2-amine
CID 19405
(4-bromodibenzofuran-2-yl)oxy-diphenylphosphane
CID 141477714
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
CID 162004190
CID 162004190
4,15,27,38-tetraoxatridecacyclo[23.21.1.12,13.03,11.05,10.014,22.016,21.026,34.028,33.036,47.037,45.039,44.024,48]octatetraconta-1(47),2,5,7,9,11,13,16,18,20,22,24(48),25,28,30,32,34,36,39,41,43,45-docosaene
CID 90365819
2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
12-bromo-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 167303441

Frequently Asked Questions

What is the IUPAC name of 4-bromodibenzofuran-2-amine?
The IUPAC name of 4-bromodibenzofuran-2-amine (CID 122462972) is 4-bromodibenzofuran-2-amine.
What is the SMILES notation for 4-bromodibenzofuran-2-amine?
The canonical SMILES for 4-bromodibenzofuran-2-amine is Nc1cc(Br)c2oc3ccccc3c2c1.
What is the InChIKey of 4-bromodibenzofuran-2-amine?
The InChIKey is OPXUDQNXFFXQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-10-6-7(14)5-9-8-3-1-2-4-11(8)15-12(9)10/h1-6H,14H2.
What are the key properties of 4-bromodibenzofuran-2-amine?
4-bromodibenzofuran-2-amine has a molecular weight of 262.11 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromodibenzofuran-2-amine is sourced from PubChem (CID 122462972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).