2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene

C14H15BrS — CID 63542068

IUPAC2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene
SMILESCc1ccc(C(Br)Cc2cccs2)c(C)c1
InChIInChI=1S/C14H15BrS/c1-10-5-6-13(11(2)8-10)14(15)9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3
InChIKeyUWNTYCSQBZXQLU-UHFFFAOYSA-N
MW295.25 g/mol
LogP5.04
Rot. Bonds3

About 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene

2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene (PubChem CID 63542068) has the molecular formula C14H15BrS and a molecular weight of 295.25 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene
PubChem CID63542068
Molecular FormulaC14H15BrS
Molecular Weight295.25 g/mol
Exact Mass294.01
IUPAC Name2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene
SMILESCc1ccc(C(Br)Cc2cccs2)c(C)c1
InChIInChI=1S/C14H15BrS/c1-10-5-6-13(11(2)8-10)14(15)9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3
InChIKeyUWNTYCSQBZXQLU-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.25
LogP ≤ 55.04
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

1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
2-[2-bromo-2-(3-chloro-2-methylphenyl)ethyl]thiophene
CID 107099936
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]thiophene
CID 63543624
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438442
[1-(2-chloro-4-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 106859801
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene?
The IUPAC name of 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene (CID 63542068) is 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene is Cc1ccc(C(Br)Cc2cccs2)c(C)c1.
What is the InChIKey of 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene?
The InChIKey is UWNTYCSQBZXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrS/c1-10-5-6-13(11(2)8-10)14(15)9-12-4-3-7-16-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene?
2-[2-bromo-2-(2,4-dimethylphenyl)ethyl]thiophene has a molecular weight of 295.25 g/mol, XLogP of 5.04, 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-(2,4-dimethylphenyl)ethyl]thiophene is sourced from PubChem (CID 63542068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).