2-(4-bromophenyl)prop-2-enyl-trimethylazanium

C12H17BrN+ — CID 14174230

IUPAC2-(4-bromophenyl)prop-2-enyl-trimethylazanium
SMILESC=C(C[N+](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN/c1-10(9-14(2,3)4)11-5-7-12(13)8-6-11/h5-8H,1,9H2,2-4H3/q+1
InChIKeyFIPOHQKOSJXNHF-UHFFFAOYSA-N
MW255.18 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-bromophenyl)prop-2-enyl-trimethylazanium

2-(4-bromophenyl)prop-2-enyl-trimethylazanium (PubChem CID 14174230) has the molecular formula C12H17BrN+ and a molecular weight of 255.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)prop-2-enyl-trimethylazanium.

Molecular Properties

Compound Name2-(4-bromophenyl)prop-2-enyl-trimethylazanium
PubChem CID14174230
Molecular FormulaC12H17BrN+
Molecular Weight255.18 g/mol
Exact Mass254.05
IUPAC Name2-(4-bromophenyl)prop-2-enyl-trimethylazanium
SMILESC=C(C[N+](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN/c1-10(9-14(2,3)4)11-5-7-12(13)8-6-11/h5-8H,1,9H2,2-4H3/q+1
InChIKeyFIPOHQKOSJXNHF-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 53.17
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

3-(4-bromophenyl)-N-methylbut-3-en-1-amine
CID 117269138
1-bromo-4-methylbenzene;2-(4-methylphenyl)prop-2-en-1-ol;prop-2-yn-1-ol
CID 157275503
1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
CID 167179403
1-(4-bromophenyl)-3-methylbut-3-en-1-one
CID 79177133
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
CID 166520929
1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144724093
2-hydroxyethyl-dimethyl-(2-phenylprop-2-enyl)azanium
CID 20792573
5-(4-bromophenyl)-2-(2-bromoprop-2-enyl)tetrazole
CID 52727894
[(E)-3,4-bis(4-bromophenyl)-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 122401874
[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
CID 54612261

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)prop-2-enyl-trimethylazanium?
The IUPAC name of 2-(4-bromophenyl)prop-2-enyl-trimethylazanium (CID 14174230) is 2-(4-bromophenyl)prop-2-enyl-trimethylazanium.
What is the SMILES notation for 2-(4-bromophenyl)prop-2-enyl-trimethylazanium?
The canonical SMILES for 2-(4-bromophenyl)prop-2-enyl-trimethylazanium is C=C(C[N+](C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)prop-2-enyl-trimethylazanium?
The InChIKey is FIPOHQKOSJXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN/c1-10(9-14(2,3)4)11-5-7-12(13)8-6-11/h5-8H,1,9H2,2-4H3/q+1.
What are the key properties of 2-(4-bromophenyl)prop-2-enyl-trimethylazanium?
2-(4-bromophenyl)prop-2-enyl-trimethylazanium has a molecular weight of 255.18 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)prop-2-enyl-trimethylazanium is sourced from PubChem (CID 14174230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).