2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine

C13H18BrN — CID 83913487

IUPAC2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
SMILESCC(Cc1ccccc1Br)C1CCCN1
InChIInChI=1S/C13H18BrN/c1-10(13-7-4-8-15-13)9-11-5-2-3-6-12(11)14/h2-3,5-6,10,13,15H,4,7-9H2,1H3
InChIKeyLIYUMIUZJAGIFI-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.38
Rot. Bonds3

About 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine

2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine (PubChem CID 83913487) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
PubChem CID83913487
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
SMILESCC(Cc1ccccc1Br)C1CCCN1
InChIInChI=1S/C13H18BrN/c1-10(13-7-4-8-15-13)9-11-5-2-3-6-12(11)14/h2-3,5-6,10,13,15H,4,7-9H2,1H3
InChIKeyLIYUMIUZJAGIFI-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-(2-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetic acid
CID 178194212
(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
CID 155010585
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine?
The IUPAC name of 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine (CID 83913487) is 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine?
The canonical SMILES for 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine is CC(Cc1ccccc1Br)C1CCCN1.
What is the InChIKey of 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine?
The InChIKey is LIYUMIUZJAGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(13-7-4-8-15-13)9-11-5-2-3-6-12(11)14/h2-3,5-6,10,13,15H,4,7-9H2,1H3.
What are the key properties of 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine?
2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 83913487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).