(3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium

C11H16Cl2IN — CID 162747540

IUPAC(3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)[I-]Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2IN/c1-4-15(2,3)14-8-9-5-6-10(12)11(13)7-9/h5-7H,4,8H2,1-3H3
InChIKeyOMPAKHNYBMOFSP-UHFFFAOYSA-N
MW360.07 g/mol
LogP0.59
Rot. Bonds4

About (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium

(3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium (PubChem CID 162747540) has the molecular formula C11H16Cl2IN and a molecular weight of 360.07 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium
PubChem CID162747540
Molecular FormulaC11H16Cl2IN
Molecular Weight360.07 g/mol
Exact Mass358.97
IUPAC Name(3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)[I-]Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2IN/c1-4-15(2,3)14-8-9-5-6-10(12)11(13)7-9/h5-7H,4,8H2,1-3H3
InChIKeyOMPAKHNYBMOFSP-UHFFFAOYSA-N
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.07
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)methyl-ethyl-dimethylazanium chloride
CID 154734522
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
(3,4-dichlorophenyl)methyl-dimethyl-propan-2-ylazanium
CID 147750736
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
CID 63611985
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
CID 158320021
3-(3,4-dichlorophenyl)-2,2-dimethylpropanal
CID 14181025
4-(2-bromo-3-methylhexyl)-1,2-dichlorobenzene
CID 63529922
1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium?
The IUPAC name of (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium (CID 162747540) is (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium?
The canonical SMILES for (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium is CC[N+](C)(C)[I-]Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium?
The InChIKey is OMPAKHNYBMOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2IN/c1-4-15(2,3)14-8-9-5-6-10(12)11(13)7-9/h5-7H,4,8H2,1-3H3.
What are the key properties of (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium?
(3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium has a molecular weight of 360.07 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyliodanuidyl-ethyl-dimethylazanium is sourced from PubChem (CID 162747540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).