(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride

C12H16Cl3N — CID 87988767

IUPAC(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)Cc1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C12H16Cl2N.ClH/c1-4-7-15(2,3)9-10-5-6-11(13)8-12(10)14;/h4-6,8H,1,7,9H2,2-3H3;1H/q+1;/p-1
InChIKeyKVIFRZYPABKDOY-UHFFFAOYSA-M
MW280.63 g/mol
LogP0.76
Rot. Bonds4

About (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride

(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride (PubChem CID 87988767) has the molecular formula C12H16Cl3N and a molecular weight of 280.63 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride
PubChem CID87988767
Molecular FormulaC12H16Cl3N
Molecular Weight280.63 g/mol
Exact Mass279.03
IUPAC Name(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)Cc1ccc(Cl)cc1Cl.[Cl-]
InChIInChI=1S/C12H16Cl2N.ClH/c1-4-7-15(2,3)9-10-5-6-11(13)8-12(10)14;/h4-6,8H,1,7,9H2,2-3H3;1H/q+1;/p-1
InChIKeyKVIFRZYPABKDOY-UHFFFAOYSA-M
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 50.76
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'}

Analyze (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride 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

(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride
CID 88673290
(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
CID 23276942
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
benzyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 173433329
N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
CID 88713574
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
CID 67875252
(2,4-dichlorophenyl)methylphosphane
CID 134447961
2-(2,4-dichlorophenyl)ethanethial
CID 87622266
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264048

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride?
The IUPAC name of (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride (CID 87988767) is (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride?
The canonical SMILES for (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride is C=CC[N+](C)(C)Cc1ccc(Cl)cc1Cl.[Cl-].
What is the InChIKey of (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride?
The InChIKey is KVIFRZYPABKDOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16Cl2N.ClH/c1-4-7-15(2,3)9-10-5-6-11(13)8-12(10)14;/h4-6,8H,1,7,9H2,2-3H3;1H/q+1;/p-1.
What are the key properties of (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride?
(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride has a molecular weight of 280.63 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride is sourced from PubChem (CID 87988767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).