1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol

C11H18BrNOS — CID 82074242

IUPAC1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol
SMILESCCN(CC)CCC(O)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-3-13(4-2)8-7-9(14)10-5-6-11(12)15-10/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyZIJXPOIJLFSDKO-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.28
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol

1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol (PubChem CID 82074242) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol
PubChem CID82074242
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol
SMILESCCN(CC)CCC(O)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-3-13(4-2)8-7-9(14)10-5-6-11(12)15-10/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyZIJXPOIJLFSDKO-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[butyl(ethyl)amino]-1-(5-propan-2-ylsulfanylthiophen-2-yl)propan-1-ol
CID 82074530
6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
CID 61101885
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
CID 82074564
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
CID 82074553
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
CID 130601456
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol (CID 82074242) is 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol is CCN(CC)CCC(O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol?
The InChIKey is ZIJXPOIJLFSDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-3-13(4-2)8-7-9(14)10-5-6-11(12)15-10/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol?
1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol is sourced from PubChem (CID 82074242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).