[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride

C18H21Cl2N — CID 88761112

IUPAC[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride
SMILESC=C[N+](C)(C)C(Cc1ccccc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C18H21ClN.ClH/c1-4-20(2,3)18(14-15-8-6-5-7-9-15)16-10-12-17(19)13-11-16;/h4-13,18H,1,14H2,2-3H3;1H/q+1;/p-1
InChIKeyWOMSFNRKPFJZLT-UHFFFAOYSA-M
MW322.28 g/mol
LogP1.85
Rot. Bonds5

About [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride

[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride (PubChem CID 88761112) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride
PubChem CID88761112
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride
SMILESC=C[N+](C)(C)C(Cc1ccccc1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C18H21ClN.ClH/c1-4-20(2,3)18(14-15-8-6-5-7-9-15)16-10-12-17(19)13-11-16;/h4-13,18H,1,14H2,2-3H3;1H/q+1;/p-1
InChIKeyWOMSFNRKPFJZLT-UHFFFAOYSA-M
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium
CID 159427465
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride
CID 88731072
1,2-diphenylethyl-ethyl-dimethylazanium chloride
CID 175355972
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
benzyl-[1-(4-chlorophenyl)ethyl]-dimethylazanium
CID 174544121
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol
CID 22049852
1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene
CID 143373056

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride?
The IUPAC name of [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride (CID 88761112) is [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride.
What is the SMILES notation for [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride?
The canonical SMILES for [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride is C=C[N+](C)(C)C(Cc1ccccc1)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride?
The InChIKey is WOMSFNRKPFJZLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21ClN.ClH/c1-4-20(2,3)18(14-15-8-6-5-7-9-15)16-10-12-17(19)13-11-16;/h4-13,18H,1,14H2,2-3H3;1H/q+1;/p-1.
What are the key properties of [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride?
[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride has a molecular weight of 322.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride is sourced from PubChem (CID 88761112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).