1-[1-(4-bromophenyl)ethyl]pyrrolidine

C12H16BrN — CID 12738008

IUPAC1-[1-(4-bromophenyl)ethyl]pyrrolidine
SMILESCC(c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C12H16BrN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyQGCHPDGYVYGLTE-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.61
Rot. Bonds2

About 1-[1-(4-bromophenyl)ethyl]pyrrolidine

1-[1-(4-bromophenyl)ethyl]pyrrolidine (PubChem CID 12738008) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]pyrrolidine
PubChem CID12738008
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[1-(4-bromophenyl)ethyl]pyrrolidine
SMILESCC(c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C12H16BrN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyQGCHPDGYVYGLTE-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460
(2R)-2-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 124512123
1-[1-(4-iodophenyl)ethyl]azetidine
CID 130668463
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1-[1-(4-ethenylphenyl)ethyl]azepane
CID 66742661
(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone
CID 119894332
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849380
1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
CID 22760363

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]pyrrolidine (CID 12738008) is 1-[1-(4-bromophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]pyrrolidine is CC(c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]pyrrolidine?
The InChIKey is QGCHPDGYVYGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]pyrrolidine?
1-[1-(4-bromophenyl)ethyl]pyrrolidine has a molecular weight of 254.17 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 12738008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).