2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine

C13H18BrN — CID 84808315

IUPAC2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(Br)cc(C2CCCN2)c1
InChIInChI=1S/C13H18BrN/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h6-9,13,15H,3-5H2,1-2H3
InChIKeyFJEUGDWGPAFHIL-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.00
Rot. Bonds2

About 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine

2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 84808315) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine
PubChem CID84808315
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(Br)cc(C2CCCN2)c1
InChIInChI=1S/C13H18BrN/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h6-9,13,15H,3-5H2,1-2H3
InChIKeyFJEUGDWGPAFHIL-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 84779760
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
2-[3,4,5-tris(methylsulfanyl)phenyl]pyrrolidine
CID 117460049
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
CID 117393322
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)pyrrolidine
CID 117486891
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine (CID 84808315) is 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine is CC(C)c1cc(Br)cc(C2CCCN2)c1.
What is the InChIKey of 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is FJEUGDWGPAFHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(2)10-6-11(8-12(14)7-10)13-4-3-5-15-13/h6-9,13,15H,3-5H2,1-2H3.
What are the key properties of 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine?
2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 84808315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).