1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine

C16H22BrN — CID 55192798

IUPAC1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
SMILESBrc1ccc(CN2CCCC2C2CCCC2)cc1
InChIInChI=1S/C16H22BrN/c17-15-9-7-13(8-10-15)12-18-11-3-6-16(18)14-4-1-2-5-14/h7-10,14,16H,1-6,11-12H2
InChIKeyUWQYOFIIIBETNV-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.60
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine

1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine (PubChem CID 55192798) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
PubChem CID55192798
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine
SMILESBrc1ccc(CN2CCCC2C2CCCC2)cc1
InChIInChI=1S/C16H22BrN/c17-15-9-7-13(8-10-15)12-18-11-3-6-16(18)14-4-1-2-5-14/h7-10,14,16H,1-6,11-12H2
InChIKeyUWQYOFIIIBETNV-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]ethanamine
CID 102726874
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]benzonitrile
CID 61073075
1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)benzonitrile
CID 43408270
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-bromophenol
CID 82982172
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N,N-diethylaniline
CID 2846006
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylaniline
CID 102726820
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-bromophenyl)ethanone
CID 43228898
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine (CID 55192798) is 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine is Brc1ccc(CN2CCCC2C2CCCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine?
The InChIKey is UWQYOFIIIBETNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-15-9-7-13(8-10-15)12-18-11-3-6-16(18)14-4-1-2-5-14/h7-10,14,16H,1-6,11-12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine?
1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine has a molecular weight of 308.26 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-cyclopentylpyrrolidine is sourced from PubChem (CID 55192798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).