(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium

C19H22N+ — CID 91468950

IUPAC(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium
SMILESC=Cc1ccc([N+](C)(C)C(C=C)c2ccccc2)cc1
InChIInChI=1S/C19H22N/c1-5-16-12-14-18(15-13-16)20(3,4)19(6-2)17-10-8-7-9-11-17/h5-15,19H,1-2H2,3-4H3/q+1
InChIKeySRZJRHITQIXAKH-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.82
Rot. Bonds5

About (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium

(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium (PubChem CID 91468950) has the molecular formula C19H22N+ and a molecular weight of 264.39 g/mol. Its IUPAC name is (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium.

Molecular Properties

Compound Name(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium
PubChem CID91468950
Molecular FormulaC19H22N+
Molecular Weight264.39 g/mol
Exact Mass264.17
IUPAC Name(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium
SMILESC=Cc1ccc([N+](C)(C)C(C=C)c2ccccc2)cc1
InChIInChI=1S/C19H22N/c1-5-16-12-14-18(15-13-16)20(3,4)19(6-2)17-10-8-7-9-11-17/h5-15,19H,1-2H2,3-4H3/q+1
InChIKeySRZJRHITQIXAKH-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium 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

dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
CID 139432999
benzyl-dimethyl-(1-phenylprop-2-enyl)azanium;4-ethenylpyridine;chloride
CID 86735557
ethyl-dimethyl-(1-phenylprop-2-enyl)azanium
CID 22066560
chloromethane;styrene
CID 122701035
benzene;ethene;styrene
CID 159006852
benzene;ethane;styrene
CID 21219610
ethyl(trimethyl)azanium;2-methylpropane;styrene
CID 90953854
ethenol;styrene
CID 66670047
CID 70443008
CID 70443008
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
styrene;tetrahydrofluoride
CID 68985344

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium?
The IUPAC name of (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium (CID 91468950) is (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium.
What is the SMILES notation for (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium?
The canonical SMILES for (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium is C=Cc1ccc([N+](C)(C)C(C=C)c2ccccc2)cc1.
What is the InChIKey of (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium?
The InChIKey is SRZJRHITQIXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N/c1-5-16-12-14-18(15-13-16)20(3,4)19(6-2)17-10-8-7-9-11-17/h5-15,19H,1-2H2,3-4H3/q+1.
What are the key properties of (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium?
(4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium has a molecular weight of 264.39 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-dimethyl-(1-phenylprop-2-enyl)azanium is sourced from PubChem (CID 91468950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).