2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine

C16H18BrNO — CID 66454421

IUPAC2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
SMILESCCOc1ccccc1C(Br)C(C)c1ccccn1
InChIInChI=1S/C16H18BrNO/c1-3-19-15-10-5-4-8-13(15)16(17)12(2)14-9-6-7-11-18-14/h4-12,16H,3H2,1-2H3
InChIKeyZWYKOTBYSGBQFG-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.72
Rot. Bonds5

About 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine (PubChem CID 66454421) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
PubChem CID66454421
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
SMILESCCOc1ccccc1C(Br)C(C)c1ccccn1
InChIInChI=1S/C16H18BrNO/c1-3-19-15-10-5-4-8-13(15)16(17)12(2)14-9-6-7-11-18-14/h4-12,16H,3H2,1-2H3
InChIKeyZWYKOTBYSGBQFG-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265
1-(2-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 55120655
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
[(2-ethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195729
1-(3-bromo-4-methylpentan-2-yl)-2-ethoxybenzene
CID 79299308
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
2-(3-bromo-4-ethylhexan-2-yl)pyridine
CID 66453992
2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
CID 79084316

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine (CID 66454421) is 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine is CCOc1ccccc1C(Br)C(C)c1ccccn1.
What is the InChIKey of 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine?
The InChIKey is ZWYKOTBYSGBQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-19-15-10-5-4-8-13(15)16(17)12(2)14-9-6-7-11-18-14/h4-12,16H,3H2,1-2H3.
What are the key properties of 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine has a molecular weight of 320.23 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66454421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).