(4-chlorophenyl)methyl-trimethylazanium bromide

C10H15BrClN — CID 14157089

IUPAC(4-chlorophenyl)methyl-trimethylazanium bromide
SMILESC[N+](C)(C)Cc1ccc(Cl)cc1.[Br-]
InChIInChI=1S/C10H15ClN.BrH/c1-12(2,3)8-9-4-6-10(11)7-5-9;/h4-7H,8H2,1-3H3;1H/q+1;/p-1
InChIKeyAKFPNGTWKLYQEE-UHFFFAOYSA-M
MW264.59 g/mol
LogP-0.45
Rot. Bonds2

About (4-chlorophenyl)methyl-trimethylazanium bromide

(4-chlorophenyl)methyl-trimethylazanium bromide (PubChem CID 14157089) has the molecular formula C10H15BrClN and a molecular weight of 264.59 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-trimethylazanium bromide.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-trimethylazanium bromide
PubChem CID14157089
Molecular FormulaC10H15BrClN
Molecular Weight264.59 g/mol
Exact Mass263.01
IUPAC Name(4-chlorophenyl)methyl-trimethylazanium bromide
SMILESC[N+](C)(C)Cc1ccc(Cl)cc1.[Br-]
InChIInChI=1S/C10H15ClN.BrH/c1-12(2,3)8-9-4-6-10(11)7-5-9;/h4-7H,8H2,1-3H3;1H/q+1;/p-1
InChIKeyAKFPNGTWKLYQEE-UHFFFAOYSA-M
XLogP-0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 5-0.45
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

CID 87882196
CID 87882196
(4-chlorophenyl)methyl-dimethyl-octylazanium
CID 23275563
(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide
CID 71665271
(4-ethynylphenyl)methyl-trimethylazanium
CID 59746066
(4-chlorophenyl)methyl-dimethyl-octadecylazanium chloride
CID 71351781
(4-chlorophenyl)methyl-dimethyl-octylazanium chloride
CID 23275562
(4-acetylphenyl)methyl-trimethylazanium
CID 4054341
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
CID 170860760
[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
CID 171634573
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
benzyl-[1-(4-chlorophenyl)ethyl]-dimethylazanium
CID 174544121

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-trimethylazanium bromide?
The IUPAC name of (4-chlorophenyl)methyl-trimethylazanium bromide (CID 14157089) is (4-chlorophenyl)methyl-trimethylazanium bromide.
What is the SMILES notation for (4-chlorophenyl)methyl-trimethylazanium bromide?
The canonical SMILES for (4-chlorophenyl)methyl-trimethylazanium bromide is C[N+](C)(C)Cc1ccc(Cl)cc1.[Br-].
What is the InChIKey of (4-chlorophenyl)methyl-trimethylazanium bromide?
The InChIKey is AKFPNGTWKLYQEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15ClN.BrH/c1-12(2,3)8-9-4-6-10(11)7-5-9;/h4-7H,8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (4-chlorophenyl)methyl-trimethylazanium bromide?
(4-chlorophenyl)methyl-trimethylazanium bromide has a molecular weight of 264.59 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-trimethylazanium bromide is sourced from PubChem (CID 14157089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).