2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline

C18H15BrClN — CID 66459957

IUPAC2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
SMILESCc1ccc(Br)cc1C(Cl)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H15BrClN/c1-12-6-8-14(19)10-16(12)17(20)11-15-9-7-13-4-2-3-5-18(13)21-15/h2-10,17H,11H2,1H3
InChIKeyZXJMBPBZEBDTNB-UHFFFAOYSA-N
MW360.68 g/mol
LogP5.83
Rot. Bonds3

About 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline

2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline (PubChem CID 66459957) has the molecular formula C18H15BrClN and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
PubChem CID66459957
Molecular FormulaC18H15BrClN
Molecular Weight360.68 g/mol
Exact Mass359.01
IUPAC Name2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
SMILESCc1ccc(Br)cc1C(Cl)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H15BrClN/c1-12-6-8-14(19)10-16(12)17(20)11-15-9-7-13-4-2-3-5-18(13)21-15/h2-10,17H,11H2,1H3
InChIKeyZXJMBPBZEBDTNB-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.68
LogP ≤ 55.83
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-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]-1,3-benzothiazole
CID 66460951
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
CID 114031537
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
1-(4-methyl-3-pyridinyl)-2-quinolin-2-ylethanamine
CID 114877948
2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline?
The IUPAC name of 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline (CID 66459957) is 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline.
What is the SMILES notation for 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline?
The canonical SMILES for 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline is Cc1ccc(Br)cc1C(Cl)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline?
The InChIKey is ZXJMBPBZEBDTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN/c1-12-6-8-14(19)10-16(12)17(20)11-15-9-7-13-4-2-3-5-18(13)21-15/h2-10,17H,11H2,1H3.
What are the key properties of 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline?
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline has a molecular weight of 360.68 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline is sourced from PubChem (CID 66459957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).