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

C11H18BrNOS — CID 65108419

IUPAC1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)c1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-4-11(3,14)7-13-8(2)10-9(12)5-6-15-10/h5-6,8,13-14H,4,7H2,1-3H3
InChIKeyCIGGYDRGEDDKGU-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.32
Rot. Bonds5

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

1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 65108419) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID65108419
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC(C)c1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-4-11(3,14)7-13-8(2)10-9(12)5-6-15-10/h5-6,8,13-14H,4,7H2,1-3H3
InChIKeyCIGGYDRGEDDKGU-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
6-[1-(3-bromothiophen-2-yl)ethylamino]hexan-3-ol
CID 115891853
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
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]butan-2-yl]carbamate
CID 107250123
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
CID 107247394
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol (CID 65108419) is 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol is CCC(C)(O)CNC(C)c1sccc1Br.
What is the InChIKey of 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is CIGGYDRGEDDKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-4-11(3,14)7-13-8(2)10-9(12)5-6-15-10/h5-6,8,13-14H,4,7H2,1-3H3.
What are the key properties of 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol?
1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 292.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).