4-bromodibenzofuran-3-amine

C12H8BrNO — CID 142749742

IUPAC4-bromodibenzofuran-3-amine
SMILESNc1ccc2c(oc3ccccc32)c1Br
InChIInChI=1S/C12H8BrNO/c13-11-9(14)6-5-8-7-3-1-2-4-10(7)15-12(8)11/h1-6H,14H2
InChIKeyNDJYNLBMUMHDDA-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.93
Rot. Bonds

About 4-bromodibenzofuran-3-amine

4-bromodibenzofuran-3-amine (PubChem CID 142749742) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-bromodibenzofuran-3-amine.

Molecular Properties

Compound Name4-bromodibenzofuran-3-amine
PubChem CID142749742
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name4-bromodibenzofuran-3-amine
SMILESNc1ccc2c(oc3ccccc32)c1Br
InChIInChI=1S/C12H8BrNO/c13-11-9(14)6-5-8-7-3-1-2-4-10(7)15-12(8)11/h1-6H,14H2
InChIKeyNDJYNLBMUMHDDA-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

4-bromodibenzofuran-2-amine
CID 122462972
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
6-(10-bromoanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167187045
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
4-bromodibenzofuran;4-phenylaniline
CID 122673561
24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1,3,5,7,9,11,13,15,17(25),18,20,22-dodecaen-13-amine
CID 45276365
18-bromo-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186602
4-(4-bromophenyl)dibenzofuran
CID 59022098
2-aminodibenzofuran-4-ol
CID 68822281
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
CID 162004190
CID 162004190

Frequently Asked Questions

What is the IUPAC name of 4-bromodibenzofuran-3-amine?
The IUPAC name of 4-bromodibenzofuran-3-amine (CID 142749742) is 4-bromodibenzofuran-3-amine.
What is the SMILES notation for 4-bromodibenzofuran-3-amine?
The canonical SMILES for 4-bromodibenzofuran-3-amine is Nc1ccc2c(oc3ccccc32)c1Br.
What is the InChIKey of 4-bromodibenzofuran-3-amine?
The InChIKey is NDJYNLBMUMHDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-11-9(14)6-5-8-7-3-1-2-4-10(7)15-12(8)11/h1-6H,14H2.
What are the key properties of 4-bromodibenzofuran-3-amine?
4-bromodibenzofuran-3-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-3-amine is sourced from PubChem (CID 142749742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).