4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol

C11H18BrNOS — CID 66092233

IUPAC4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-8(3-5-14)7-13-9(2)11-10(12)4-6-15-11/h4,6,8-9,13-14H,3,5,7H2,1-2H3
InChIKeyUHCVQXJEYQQZNV-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.18
Rot. Bonds6

About 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol

4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66092233) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
PubChem CID66092233
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-8(3-5-14)7-13-9(2)11-10(12)4-6-15-11/h4,6,8-9,13-14H,3,5,7H2,1-2H3
InChIKeyUHCVQXJEYQQZNV-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895631
N-[1-(3-bromothiophen-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 60815874
4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66090594
3-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethylsulfanyl]propan-1-ol
CID 115717854
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571
6-[1-(3-bromothiophen-2-yl)ethylamino]hexan-3-ol
CID 115891853
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
CID 65108419
3-methyl-4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 66091326
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43771631

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol (CID 66092233) is 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNC(C)c1sccc1Br.
What is the InChIKey of 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is UHCVQXJEYQQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-8(3-5-14)7-13-9(2)11-10(12)4-6-15-11/h4,6,8-9,13-14H,3,5,7H2,1-2H3.
What are the key properties of 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol?
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66092233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).