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

C12H17BrClN — CID 119032014

IUPAC1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
SMILESCC(c1ccc(Br)cc1)N1CCCC1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11;/h4-7,10H,2-3,8-9H2,1H3;1H
InChIKeyRBFHBVGWDQPMSL-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.03
Rot. Bonds2

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

1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride (PubChem CID 119032014) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
PubChem CID119032014
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
SMILESCC(c1ccc(Br)cc1)N1CCCC1.Cl
InChIInChI=1S/C12H16BrN.ClH/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11;/h4-7,10H,2-3,8-9H2,1H3;1H
InChIKeyRBFHBVGWDQPMSL-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
(2R)-2-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 124512123
1-[1-(4-iodophenyl)ethyl]azetidine
CID 130668463
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1-[1-(4-ethenylphenyl)ethyl]azepane
CID 66742661
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
(3-aminocyclopentyl)-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]methanone
CID 119894332
1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 175168204
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride (CID 119032014) is 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride is CC(c1ccc(Br)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride?
The InChIKey is RBFHBVGWDQPMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN.ClH/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11;/h4-7,10H,2-3,8-9H2,1H3;1H.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride?
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride has a molecular weight of 290.63 g/mol, XLogP of 4.03, 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;hydrochloride is sourced from PubChem (CID 119032014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).