2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol

C15H20BrNO — CID 102894010

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
SMILESOC(CC1NCC2CCCC21)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c16-12-5-1-3-10(7-12)15(18)8-14-13-6-2-4-11(13)9-17-14/h1,3,5,7,11,13-15,17-18H,2,4,6,8-9H2
InChIKeyHEROYFBMPHOYMM-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.26
Rot. Bonds3

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol (PubChem CID 102894010) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
PubChem CID102894010
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
SMILESOC(CC1NCC2CCCC21)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c16-12-5-1-3-10(7-12)15(18)8-14-13-6-2-4-11(13)9-17-14/h1,3,5,7,11,13-15,17-18H,2,4,6,8-9H2
InChIKeyHEROYFBMPHOYMM-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79560834
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
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CID 102894005
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
CID 79559401
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol
CID 116685463
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
3-(3-bromophenyl)-3-cyclobutylpropanal
CID 115049694
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol (CID 102894010) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol is OC(CC1NCC2CCCC21)c1cccc(Br)c1.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol?
The InChIKey is HEROYFBMPHOYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-12-5-1-3-10(7-12)15(18)8-14-13-6-2-4-11(13)9-17-14/h1,3,5,7,11,13-15,17-18H,2,4,6,8-9H2.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol has a molecular weight of 310.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 102894010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).