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

C10H16BrNOS — CID 107167432

IUPAC1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
SMILESCC(NCC(C)(C)O)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(12-6-10(2,3)13)9-4-8(11)5-14-9/h4-5,7,12-13H,6H2,1-3H3
InChIKeyFNHCIFIFFSLOSU-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds4

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

1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol (PubChem CID 107167432) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
PubChem CID107167432
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
SMILESCC(NCC(C)(C)O)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-7(12-6-10(2,3)13)9-4-8(11)5-14-9/h4-5,7,12-13H,6H2,1-3H3
InChIKeyFNHCIFIFFSLOSU-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
1-[1-(4-bromothiophen-2-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 107167459
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-dimethylheptan-1-amine
CID 107354449
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
1-(4-bromothiophen-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 107167355
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 107354393
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol (CID 107167432) is 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol is CC(NCC(C)(C)O)c1cc(Br)cs1.
What is the InChIKey of 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is FNHCIFIFFSLOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-7(12-6-10(2,3)13)9-4-8(11)5-14-9/h4-5,7,12-13H,6H2,1-3H3.
What are the key properties of 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol?
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 278.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 107167432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).