2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol

C13H18BrNO2 — CID 116860316

IUPAC2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc(Br)cc1C(CO)N1CCCC1
InChIInChI=1S/C13H18BrNO2/c1-17-13-5-4-10(14)8-11(13)12(9-16)15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3
InChIKeyIXFSIFFFQKUHOQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.59
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol

2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 116860316) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID116860316
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc(Br)cc1C(CO)N1CCCC1
InChIInChI=1S/C13H18BrNO2/c1-17-13-5-4-10(14)8-11(13)12(9-16)15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3
InChIKeyIXFSIFFFQKUHOQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860302
ethyl 3-(5-bromo-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanoate
CID 64528994
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163473
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017257
(3S)-3-(5-bromo-2-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190515
2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
CID 61050211
2-(5-bromo-2-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63608562

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol (CID 116860316) is 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol is COc1ccc(Br)cc1C(CO)N1CCCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is IXFSIFFFQKUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-13-5-4-10(14)8-11(13)12(9-16)15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 300.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 116860316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).