2-chloro-5-dibenzofuran-4-ylaniline

C18H12ClNO — CID 166567147

IUPAC2-chloro-5-dibenzofuran-4-ylaniline
SMILESNc1cc(-c2cccc3c2oc2ccccc23)ccc1Cl
InChIInChI=1S/C18H12ClNO/c19-15-9-8-11(10-16(15)20)12-5-3-6-14-13-4-1-2-7-17(13)21-18(12)14/h1-10H,20H2
InChIKeyGIFDNBRPVCYQMD-UHFFFAOYSA-N
MW293.75 g/mol
LogP5.49
Rot. Bonds1

About 2-chloro-5-dibenzofuran-4-ylaniline

2-chloro-5-dibenzofuran-4-ylaniline (PubChem CID 166567147) has the molecular formula C18H12ClNO and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-5-dibenzofuran-4-ylaniline.

Molecular Properties

Compound Name2-chloro-5-dibenzofuran-4-ylaniline
PubChem CID166567147
Molecular FormulaC18H12ClNO
Molecular Weight293.75 g/mol
Exact Mass293.06
IUPAC Name2-chloro-5-dibenzofuran-4-ylaniline
SMILESNc1cc(-c2cccc3c2oc2ccccc23)ccc1Cl
InChIInChI=1S/C18H12ClNO/c19-15-9-8-11(10-16(15)20)12-5-3-6-14-13-4-1-2-7-17(13)21-18(12)14/h1-10H,20H2
InChIKeyGIFDNBRPVCYQMD-UHFFFAOYSA-N
XLogP5.49
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.75
LogP ≤ 55.49
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

3-dibenzofuran-4-ylnaphthalen-1-amine
CID 118534182
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(4-bromophenyl)dibenzofuran
CID 59022098
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
CID 167484483
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-dibenzofuran-4-ylaniline?
The IUPAC name of 2-chloro-5-dibenzofuran-4-ylaniline (CID 166567147) is 2-chloro-5-dibenzofuran-4-ylaniline.
What is the SMILES notation for 2-chloro-5-dibenzofuran-4-ylaniline?
The canonical SMILES for 2-chloro-5-dibenzofuran-4-ylaniline is Nc1cc(-c2cccc3c2oc2ccccc23)ccc1Cl.
What is the InChIKey of 2-chloro-5-dibenzofuran-4-ylaniline?
The InChIKey is GIFDNBRPVCYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO/c19-15-9-8-11(10-16(15)20)12-5-3-6-14-13-4-1-2-7-17(13)21-18(12)14/h1-10H,20H2.
What are the key properties of 2-chloro-5-dibenzofuran-4-ylaniline?
2-chloro-5-dibenzofuran-4-ylaniline has a molecular weight of 293.75 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-dibenzofuran-4-ylaniline is sourced from PubChem (CID 166567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).