1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C13H19BrClNO2 — CID 2914509

IUPAC1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1Br)CN1CCCC1
InChIInChI=1S/C13H18BrNO2.ClH/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15;/h1-2,5-6,11,16H,3-4,7-10H2;1H
InChIKeyWXICPUFLGRXARP-UHFFFAOYSA-N
MW336.66 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2914509) has the molecular formula C13H19BrClNO2 and a molecular weight of 336.66 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2914509
Molecular FormulaC13H19BrClNO2
Molecular Weight336.66 g/mol
Exact Mass335.03
IUPAC Name1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1Br)CN1CCCC1
InChIInChI=1S/C13H18BrNO2.ClH/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15;/h1-2,5-6,11,16H,3-4,7-10H2;1H
InChIKeyWXICPUFLGRXARP-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34207169
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
ethyl 4-[3-(2-bromophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 4728847
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 2914509) is 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(COc1ccccc1Br)CN1CCCC1.
What is the InChIKey of 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is WXICPUFLGRXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2.ClH/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15;/h1-2,5-6,11,16H,3-4,7-10H2;1H.
What are the key properties of 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 336.66 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2914509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).