2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline

C18H16BrN — CID 66459842

IUPAC2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
SMILESCc1ccc(C(Br)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16BrN/c1-13-6-8-14(9-7-13)17(19)12-16-11-10-15-4-2-3-5-18(15)20-16/h2-11,17H,12H2,1H3
InChIKeyABYFIBRKFMPUBY-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.22
Rot. Bonds3

About 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline

2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline (PubChem CID 66459842) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
PubChem CID66459842
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
SMILESCc1ccc(C(Br)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16BrN/c1-13-6-8-14(9-7-13)17(19)12-16-11-10-15-4-2-3-5-18(15)20-16/h2-11,17H,12H2,1H3
InChIKeyABYFIBRKFMPUBY-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
2-[2-bromo-2-(5-ethylthiophen-2-yl)ethyl]quinoline
CID 66461445
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
CID 129271456
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline?
The IUPAC name of 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline (CID 66459842) is 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline.
What is the SMILES notation for 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline?
The canonical SMILES for 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline is Cc1ccc(C(Br)Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline?
The InChIKey is ABYFIBRKFMPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-13-6-8-14(9-7-13)17(19)12-16-11-10-15-4-2-3-5-18(15)20-16/h2-11,17H,12H2,1H3.
What are the key properties of 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline?
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline has a molecular weight of 326.24 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline is sourced from PubChem (CID 66459842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).