2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol

C12H16BrNO — CID 83981690

IUPAC2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNO/c13-11-2-1-3-12(8-11)14-6-4-10(9-14)5-7-15/h1-3,8,10,15H,4-7,9H2
InChIKeyHBLQEBKJOFMPOI-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol

2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 83981690) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
PubChem CID83981690
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNO/c13-11-2-1-3-12(8-11)14-6-4-10(9-14)5-7-15/h1-3,8,10,15H,4-7,9H2
InChIKeyHBLQEBKJOFMPOI-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3-(2-hydroxyethyl)urea
CID 110904622
3-[1-(3-bromophenyl)pyrrolidin-3-yl]-2-methylpropanoic acid
CID 83981669
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018566
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
1-[1-(3-bromophenyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 154841822
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol (CID 83981690) is 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is HBLQEBKJOFMPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-2-1-3-12(8-11)14-6-4-10(9-14)5-7-15/h1-3,8,10,15H,4-7,9H2.
What are the key properties of 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol?
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 270.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 83981690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).