2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol

C12H15BrClNO — CID 106640010

IUPAC2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
SMILESOC(Cc1ccc(Br)cc1Cl)C1CCCN1
InChIInChI=1S/C12H15BrClNO/c13-9-4-3-8(10(14)7-9)6-12(16)11-2-1-5-15-11/h3-4,7,11-12,15-16H,1-2,5-6H2
InChIKeyUTHGOGZALBKBAM-UHFFFAOYSA-N
MW304.62 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol

2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol (PubChem CID 106640010) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
PubChem CID106640010
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
SMILESOC(Cc1ccc(Br)cc1Cl)C1CCCN1
InChIInChI=1S/C12H15BrClNO/c13-9-4-3-8(10(14)7-9)6-12(16)11-2-1-5-15-11/h3-4,7,11-12,15-16H,1-2,5-6H2
InChIKeyUTHGOGZALBKBAM-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
CID 106871141
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 116756312
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
1-(4-bromo-2-chlorophenyl)-3,5-dimethylhexan-2-ol
CID 114200534

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol (CID 106640010) is 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol is OC(Cc1ccc(Br)cc1Cl)C1CCCN1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol?
The InChIKey is UTHGOGZALBKBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-9-4-3-8(10(14)7-9)6-12(16)11-2-1-5-15-11/h3-4,7,11-12,15-16H,1-2,5-6H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol?
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol has a molecular weight of 304.62 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 106640010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).