1-ethyl-4-methanidylbenzene;zinc;hydrobromide

C9H12BrZn- — CID 87072748

IUPAC1-ethyl-4-methanidylbenzene;zinc;hydrobromide
SMILESBr.[CH2-]c1ccc(CC)cc1.[Zn]
InChIInChI=1S/C9H11.BrH.Zn/c1-3-9-6-4-8(2)5-7-9;;/h4-7H,2-3H2,1H3;1H;/q-1;;
InChIKeyPEMHJWYOEDIJFT-UHFFFAOYSA-N
MW265.49 g/mol
LogP3.01
Rot. Bonds1

About 1-ethyl-4-methanidylbenzene;zinc;hydrobromide

1-ethyl-4-methanidylbenzene;zinc;hydrobromide (PubChem CID 87072748) has the molecular formula C9H12BrZn- and a molecular weight of 265.49 g/mol. Its IUPAC name is 1-ethyl-4-methanidylbenzene;zinc;hydrobromide.

Molecular Properties

Compound Name1-ethyl-4-methanidylbenzene;zinc;hydrobromide
PubChem CID87072748
Molecular FormulaC9H12BrZn-
Molecular Weight265.49 g/mol
Exact Mass262.94
IUPAC Name1-ethyl-4-methanidylbenzene;zinc;hydrobromide
SMILESBr.[CH2-]c1ccc(CC)cc1.[Zn]
InChIInChI=1S/C9H11.BrH.Zn/c1-3-9-6-4-8(2)5-7-9;;/h4-7H,2-3H2,1H3;1H;/q-1;;
InChIKeyPEMHJWYOEDIJFT-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane;methane
CID 166131756
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
4-ethylaniline;hydrobromide
CID 86059477
CID 57436075
CID 57436075
1-ethyl-4-methylbenzene;propane
CID 144580802
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1,4-diethylbenzene;heptane
CID 175370860
1-bromo-4-ethylbenzene
CID 15313
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methanidylbenzene;zinc;hydrobromide?
The IUPAC name of 1-ethyl-4-methanidylbenzene;zinc;hydrobromide (CID 87072748) is 1-ethyl-4-methanidylbenzene;zinc;hydrobromide.
What is the SMILES notation for 1-ethyl-4-methanidylbenzene;zinc;hydrobromide?
The canonical SMILES for 1-ethyl-4-methanidylbenzene;zinc;hydrobromide is Br.[CH2-]c1ccc(CC)cc1.[Zn].
What is the InChIKey of 1-ethyl-4-methanidylbenzene;zinc;hydrobromide?
The InChIKey is PEMHJWYOEDIJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.BrH.Zn/c1-3-9-6-4-8(2)5-7-9;;/h4-7H,2-3H2,1H3;1H;/q-1;;.
What are the key properties of 1-ethyl-4-methanidylbenzene;zinc;hydrobromide?
1-ethyl-4-methanidylbenzene;zinc;hydrobromide has a molecular weight of 265.49 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methanidylbenzene;zinc;hydrobromide is sourced from PubChem (CID 87072748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).