1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol

C12H16BrNO — CID 66874094

IUPAC1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14/h3-6,12,15H,1-2,7-9H2
InChIKeyKATUZLHQVWYDPE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds3

About 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol

1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 66874094) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
PubChem CID66874094
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14/h3-6,12,15H,1-2,7-9H2
InChIKeyKATUZLHQVWYDPE-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 95285863
1-(4-bromophenyl)-2-(4-cyclopropylpiperazin-1-yl)ethanol
CID 110935931
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 57207345
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol (CID 66874094) is 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol is OC(CN1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is KATUZLHQVWYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14/h3-6,12,15H,1-2,7-9H2.
What are the key properties of 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol?
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 270.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 66874094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).