2-[2-(4-bromophenyl)ethyl]pyrrolidine

C12H16BrN — CID 82088395

IUPAC2-[2-(4-bromophenyl)ethyl]pyrrolidine
SMILESBrc1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C12H16BrN/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h3-4,6-7,12,14H,1-2,5,8-9H2
InChIKeyQFKOIUVFPUCVAE-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.13
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]pyrrolidine

2-[2-(4-bromophenyl)ethyl]pyrrolidine (PubChem CID 82088395) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]pyrrolidine
PubChem CID82088395
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-[2-(4-bromophenyl)ethyl]pyrrolidine
SMILESBrc1ccc(CCC2CCCN2)cc1
InChIInChI=1S/C12H16BrN/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h3-4,6-7,12,14H,1-2,5,8-9H2
InChIKeyQFKOIUVFPUCVAE-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
2-[(4-bromophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071015
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-[3-(4-bromophenyl)sulfanylpropyl]pyrrolidine
CID 62478365
7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
CID 20640458
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]pyrrolidine (CID 82088395) is 2-[2-(4-bromophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]pyrrolidine is Brc1ccc(CCC2CCCN2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]pyrrolidine?
The InChIKey is QFKOIUVFPUCVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h3-4,6-7,12,14H,1-2,5,8-9H2.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]pyrrolidine?
2-[2-(4-bromophenyl)ethyl]pyrrolidine has a molecular weight of 254.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 82088395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).