2-bromodibenzofuran;naphthalen-2-amine

C22H16BrNO — CID 175083033

IUPAC2-bromodibenzofuran;naphthalen-2-amine
SMILESBrc1ccc2oc3ccccc3c2c1.Nc1ccc2ccccc2c1
InChIInChI=1S/C12H7BrO.C10H9N/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H;1-7H,11H2
InChIKeyNPRFXSADJSLTLZ-UHFFFAOYSA-N
MW390.28 g/mol
LogP6.77
Rot. Bonds

About 2-bromodibenzofuran;naphthalen-2-amine

2-bromodibenzofuran;naphthalen-2-amine (PubChem CID 175083033) has the molecular formula C22H16BrNO and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-bromodibenzofuran;naphthalen-2-amine.

Molecular Properties

Compound Name2-bromodibenzofuran;naphthalen-2-amine
PubChem CID175083033
Molecular FormulaC22H16BrNO
Molecular Weight390.28 g/mol
Exact Mass389.04
IUPAC Name2-bromodibenzofuran;naphthalen-2-amine
SMILESBrc1ccc2oc3ccccc3c2c1.Nc1ccc2ccccc2c1
InChIInChI=1S/C12H7BrO.C10H9N/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H;1-7H,11H2
InChIKeyNPRFXSADJSLTLZ-UHFFFAOYSA-N
XLogP6.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 56.77
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-bromonaphthalene;naphthalen-2-amine
CID 173256216
dibenzofuran-2-amine
CID 19405
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
2-bromodibenzofuran;4-dibenzofuran-2-ylaniline;2-[4-(dibenzofuran-2-ylmethyl)phenyl]dibenzofuran
CID 161325383
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564
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
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
2-bromo-8-deuteriodibenzofuran
CID 164823115
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047

Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzofuran;naphthalen-2-amine?
The IUPAC name of 2-bromodibenzofuran;naphthalen-2-amine (CID 175083033) is 2-bromodibenzofuran;naphthalen-2-amine.
What is the SMILES notation for 2-bromodibenzofuran;naphthalen-2-amine?
The canonical SMILES for 2-bromodibenzofuran;naphthalen-2-amine is Brc1ccc2oc3ccccc3c2c1.Nc1ccc2ccccc2c1.
What is the InChIKey of 2-bromodibenzofuran;naphthalen-2-amine?
The InChIKey is NPRFXSADJSLTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO.C10H9N/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H;1-7H,11H2.
What are the key properties of 2-bromodibenzofuran;naphthalen-2-amine?
2-bromodibenzofuran;naphthalen-2-amine has a molecular weight of 390.28 g/mol, XLogP of 6.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzofuran;naphthalen-2-amine is sourced from PubChem (CID 175083033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).