1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol

C17H24BrNO — CID 62912700

IUPAC1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCCC2C2CCCC2)c(Br)c1
InChIInChI=1S/C17H24BrNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-7-16(19)13-5-2-3-6-13/h8-9,11-13,16,20H,2-7,10H2,1H3
InChIKeyZGGIFADBCDKCFZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.66
Rot. Bonds3

About 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol

1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 62912700) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID62912700
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCCC2C2CCCC2)c(Br)c1
InChIInChI=1S/C17H24BrNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-7-16(19)13-5-2-3-6-13/h8-9,11-13,16,20H,2-7,10H2,1H3
InChIKeyZGGIFADBCDKCFZ-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-bromo-4-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939883
(1R)-1-[3-bromo-4-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 104891570
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 78940404
1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056041
(1R)-1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanol
CID 102727152
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-bromophenyl]ethanone
CID 102726722
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
(1S)-1-[3-bromo-4-(3-methylthiomorpholin-4-yl)phenyl]ethanol
CID 78956466
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 82967867
(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368798
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-bromoaniline
CID 82746353

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol (CID 62912700) is 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol is CC(O)c1ccc(N2CCCC2C2CCCC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is ZGGIFADBCDKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-7-16(19)13-5-2-3-6-13/h8-9,11-13,16,20H,2-7,10H2,1H3.
What are the key properties of 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol?
1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 338.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 62912700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).