dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine

C25H22FN3O — CID 144591059

IUPACdibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine
SMILESCN(F)c1ccccc1Nc1ccccc1N.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H14FN3.C12H8O/c1-17(14)13-9-5-4-8-12(13)16-11-7-3-2-6-10(11)15;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2-9,16H,15H2,1H3;1-8H
InChIKeyILHYVGLRGFHIPK-UHFFFAOYSA-N
MW399.47 g/mol
LogP6.92
Rot. Bonds3

About dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine

dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine (PubChem CID 144591059) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Namedibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine
PubChem CID144591059
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Namedibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine
SMILESCN(F)c1ccccc1Nc1ccccc1N.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H14FN3.C12H8O/c1-17(14)13-9-5-4-8-12(13)16-11-7-3-2-6-10(11)15;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2-9,16H,15H2,1H3;1-8H
InChIKeyILHYVGLRGFHIPK-UHFFFAOYSA-N
XLogP6.92
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
dibenzofuran-2-amine
CID 19405
2-N-(1-benzofuran-2-yl)benzene-1,2-diamine
CID 70195829
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
[4-(2-aminoanilino)-3-(dimethylamino)phenyl]-phenylmethanone
CID 174393841
1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106759459
N-methyldibenzofuran-1-amine
CID 135277683
2-N-[2-[(3-ethenyl-2-methyl-1-benzofuran-5-yl)amino]phenyl]benzene-1,2-diamine
CID 123989126

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine?
The IUPAC name of dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine (CID 144591059) is dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine.
What is the SMILES notation for dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine?
The canonical SMILES for dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine is CN(F)c1ccccc1Nc1ccccc1N.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine?
The InChIKey is ILHYVGLRGFHIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3.C12H8O/c1-17(14)13-9-5-4-8-12(13)16-11-7-3-2-6-10(11)15;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2-9,16H,15H2,1H3;1-8H.
What are the key properties of dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine?
dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine has a molecular weight of 399.47 g/mol, XLogP of 6.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;2-N-[2-[fluoro(methyl)amino]phenyl]benzene-1,2-diamine is sourced from PubChem (CID 144591059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).