2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine

C16H18BrN — CID 66454426

IUPAC2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C)c(C(Br)C(C)c2ccccn2)c1
InChIInChI=1S/C16H18BrN/c1-11-7-8-12(2)14(10-11)16(17)13(3)15-6-4-5-9-18-15/h4-10,13,16H,1-3H3
InChIKeySUYFVSDWSZEAHU-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.94
Rot. Bonds3

About 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine (PubChem CID 66454426) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
PubChem CID66454426
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
SMILESCc1ccc(C)c(C(Br)C(C)c2ccccn2)c1
InChIInChI=1S/C16H18BrN/c1-11-7-8-12(2)14(10-11)16(17)13(3)15-6-4-5-9-18-15/h4-10,13,16H,1-3H3
InChIKeySUYFVSDWSZEAHU-UHFFFAOYSA-N
XLogP4.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.94
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-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 81112033
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265
1-(2-methoxy-5-methylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459919
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine (CID 66454426) is 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine is Cc1ccc(C)c(C(Br)C(C)c2ccccn2)c1.
What is the InChIKey of 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
The InChIKey is SUYFVSDWSZEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-11-7-8-12(2)14(10-11)16(17)13(3)15-6-4-5-9-18-15/h4-10,13,16H,1-3H3.
What are the key properties of 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine has a molecular weight of 304.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66454426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).