2-bromo-1,3-diethylbenzene;formonitrile

C11H14BrN — CID 174727247

IUPAC2-bromo-1,3-diethylbenzene;formonitrile
SMILESC#N.CCc1cccc(CC)c1Br
InChIInChI=1S/C10H13Br.CHN/c1-3-8-6-5-7-9(4-2)10(8)11;1-2/h5-7H,3-4H2,1-2H3;1H
InChIKeyVNYVMSDDGZOUFE-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.71
Rot. Bonds2

About 2-bromo-1,3-diethylbenzene;formonitrile

2-bromo-1,3-diethylbenzene;formonitrile (PubChem CID 174727247) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-bromo-1,3-diethylbenzene;formonitrile.

Molecular Properties

Compound Name2-bromo-1,3-diethylbenzene;formonitrile
PubChem CID174727247
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-bromo-1,3-diethylbenzene;formonitrile
SMILESC#N.CCc1cccc(CC)c1Br
InChIInChI=1S/C10H13Br.CHN/c1-3-8-6-5-7-9(4-2)10(8)11;1-2/h5-7H,3-4H2,1-2H3;1H
InChIKeyVNYVMSDDGZOUFE-UHFFFAOYSA-N
XLogP3.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1,3-diethylbenzene;formonitrile 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

2-bromo-1-ethyl-3-(3-methoxypropyl)benzene
CID 70214419
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
2-bromo-1-(2-bromo-3-ethylphenyl)ethanone
CID 130066516
1,2-dibromo-5-ethylnaphthalene
CID 90925875
1,2-diethylbenzene;hydrobromide
CID 174973685
1-bromo-2-(bromomethyl)-3-ethylbenzene;ethane
CID 123787449
1,3-diethyl-2-iodobenzene
CID 18690512
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
CID 12975599
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
CID 130052576

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-diethylbenzene;formonitrile?
The IUPAC name of 2-bromo-1,3-diethylbenzene;formonitrile (CID 174727247) is 2-bromo-1,3-diethylbenzene;formonitrile.
What is the SMILES notation for 2-bromo-1,3-diethylbenzene;formonitrile?
The canonical SMILES for 2-bromo-1,3-diethylbenzene;formonitrile is C#N.CCc1cccc(CC)c1Br.
What is the InChIKey of 2-bromo-1,3-diethylbenzene;formonitrile?
The InChIKey is VNYVMSDDGZOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br.CHN/c1-3-8-6-5-7-9(4-2)10(8)11;1-2/h5-7H,3-4H2,1-2H3;1H.
What are the key properties of 2-bromo-1,3-diethylbenzene;formonitrile?
2-bromo-1,3-diethylbenzene;formonitrile has a molecular weight of 240.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-diethylbenzene;formonitrile is sourced from PubChem (CID 174727247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).