(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride

C16H20Cl3N — CID 88673290

IUPAC(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)(CC=C)Cc1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C16H20Cl2N.ClH/c1-4-9-19(10-5-2,11-6-3)13-14-7-8-15(17)12-16(14)18;/h4-8,12H,1-3,9-11,13H2;1H/q+1;/p-1
InChIKeyGDFKKZNEKBNCCU-UHFFFAOYSA-M
MW332.70 g/mol
LogP1.87
Rot. Bonds8

About (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride

(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride (PubChem CID 88673290) has the molecular formula C16H20Cl3N and a molecular weight of 332.70 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride
PubChem CID88673290
Molecular FormulaC16H20Cl3N
Molecular Weight332.70 g/mol
Exact Mass331.07
IUPAC Name(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)(CC=C)Cc1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C16H20Cl2N.ClH/c1-4-9-19(10-5-2,11-6-3)13-14-7-8-15(17)12-16(14)18;/h4-8,12H,1-3,9-11,13H2;1H/q+1;/p-1
InChIKeyGDFKKZNEKBNCCU-UHFFFAOYSA-M
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.70
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride
CID 87988767
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
CID 88713574
(2,4-dichlorophenyl)methylphosphane
CID 134447961
2-(2,4-dichlorophenyl)ethanethial
CID 87622266
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
CID 23276942
2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
CID 67875252
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
N-[(2,4-dichlorophenyl)methyl]methanethioamide
CID 58279654
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride?
The IUPAC name of (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride (CID 88673290) is (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride?
The canonical SMILES for (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride is C=CC[N+](CC=C)(CC=C)Cc1ccc(Cl)cc1Cl.[Cl-].
What is the InChIKey of (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride?
The InChIKey is GDFKKZNEKBNCCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20Cl2N.ClH/c1-4-9-19(10-5-2,11-6-3)13-14-7-8-15(17)12-16(14)18;/h4-8,12H,1-3,9-11,13H2;1H/q+1;/p-1.
What are the key properties of (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride?
(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride has a molecular weight of 332.70 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride is sourced from PubChem (CID 88673290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).