1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol

C12H16BrNO — CID 79560834

IUPAC1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c13-10-4-1-3-9(7-10)12(15)8-11-5-2-6-14-11/h1,3-4,7,11-12,14-15H,2,5-6,8H2
InChIKeyLDUJJEVHGFKKBG-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol

1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 79560834) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
PubChem CID79560834
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c13-10-4-1-3-9(7-10)12(15)8-11-5-2-6-14-11/h1,3-4,7,11-12,14-15H,2,5-6,8H2
InChIKeyLDUJJEVHGFKKBG-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
CID 102894010
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol (CID 79560834) is 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol is OC(CC1CCCN1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is LDUJJEVHGFKKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-4-1-3-9(7-10)12(15)8-11-5-2-6-14-11/h1,3-4,7,11-12,14-15H,2,5-6,8H2.
What are the key properties of 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol?
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 270.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 79560834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).