2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile

C15H15BrN2O — CID 107276207

IUPAC2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile
SMILESCc1cc(C(C)Nc2ccc(C#N)c(Br)c2)c(C)o1
InChIInChI=1S/C15H15BrN2O/c1-9-6-14(11(3)19-9)10(2)18-13-5-4-12(8-17)15(16)7-13/h4-7,10,18H,1-3H3
InChIKeyRMEBOQRRQSSXAS-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.70
Rot. Bonds3

About 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile

2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile (PubChem CID 107276207) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile
PubChem CID107276207
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile
SMILESCc1cc(C(C)Nc2ccc(C#N)c(Br)c2)c(C)o1
InChIInChI=1S/C15H15BrN2O/c1-9-6-14(11(3)19-9)10(2)18-13-5-4-12(8-17)15(16)7-13/h4-7,10,18H,1-3H3
InChIKeyRMEBOQRRQSSXAS-UHFFFAOYSA-N
XLogP4.70
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
2-bromo-4-(1,3-dihydroxypropan-2-ylamino)benzonitrile
CID 107276450
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
CID 103915139
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
CID 43121192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile?
The IUPAC name of 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile (CID 107276207) is 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile.
What is the SMILES notation for 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile?
The canonical SMILES for 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile is Cc1cc(C(C)Nc2ccc(C#N)c(Br)c2)c(C)o1.
What is the InChIKey of 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile?
The InChIKey is RMEBOQRRQSSXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-6-14(11(3)19-9)10(2)18-13-5-4-12(8-17)15(16)7-13/h4-7,10,18H,1-3H3.
What are the key properties of 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile?
2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile has a molecular weight of 319.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile is sourced from PubChem (CID 107276207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).