2-bromo-4-(4-ethylanilino)benzonitrile

C15H13BrN2 — CID 107275838

IUPAC2-bromo-4-(4-ethylanilino)benzonitrile
SMILESCCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1
InChIInChI=1S/C15H13BrN2/c1-2-11-3-6-13(7-4-11)18-14-8-5-12(10-17)15(16)9-14/h3-9,18H,2H2,1H3
InChIKeyOFTBWMXXUYMUST-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.63
Rot. Bonds3

About 2-bromo-4-(4-ethylanilino)benzonitrile

2-bromo-4-(4-ethylanilino)benzonitrile (PubChem CID 107275838) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-bromo-4-(4-ethylanilino)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(4-ethylanilino)benzonitrile
PubChem CID107275838
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name2-bromo-4-(4-ethylanilino)benzonitrile
SMILESCCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1
InChIInChI=1S/C15H13BrN2/c1-2-11-3-6-13(7-4-11)18-14-8-5-12(10-17)15(16)9-14/h3-9,18H,2H2,1H3
InChIKeyOFTBWMXXUYMUST-UHFFFAOYSA-N
XLogP4.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(3,5-dimethoxyanilino)benzonitrile
CID 107275779
4-(3-bromo-4-cyanoanilino)benzoic acid
CID 107275336
2-bromo-4-(3-ethoxyanilino)benzonitrile
CID 107276122
2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile
CID 107275952
2-bromo-4-(2-ethylbutylamino)benzonitrile
CID 107276756
2-bromo-4-(2-bromoanilino)benzonitrile
CID 107275827
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
2-bromo-4-(2,6-difluoroanilino)benzonitrile
CID 107275893
2-bromo-4-(2-methoxyethylamino)benzonitrile
CID 107275717
2-bromo-4-[3-(ethylamino)propylamino]benzonitrile
CID 107280607
2-bromo-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]benzonitrile
CID 107865829
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-ethylanilino)benzonitrile?
The IUPAC name of 2-bromo-4-(4-ethylanilino)benzonitrile (CID 107275838) is 2-bromo-4-(4-ethylanilino)benzonitrile.
What is the SMILES notation for 2-bromo-4-(4-ethylanilino)benzonitrile?
The canonical SMILES for 2-bromo-4-(4-ethylanilino)benzonitrile is CCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-(4-ethylanilino)benzonitrile?
The InChIKey is OFTBWMXXUYMUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-2-11-3-6-13(7-4-11)18-14-8-5-12(10-17)15(16)9-14/h3-9,18H,2H2,1H3.
What are the key properties of 2-bromo-4-(4-ethylanilino)benzonitrile?
2-bromo-4-(4-ethylanilino)benzonitrile has a molecular weight of 301.19 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-ethylanilino)benzonitrile is sourced from PubChem (CID 107275838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).