1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol

C9H14BrNOS — CID 3046798

IUPAC1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-6(2)11-4-8(12)9-3-7(10)5-13-9/h3,5-6,8,11-12H,4H2,1-2H3
InChIKeyYBKHAXUQGDNHHV-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol

1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 3046798) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
PubChem CID3046798
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS/c1-6(2)11-4-8(12)9-3-7(10)5-13-9/h3,5-6,8,11-12H,4H2,1-2H3
InChIKeyYBKHAXUQGDNHHV-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046791
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
1-(4-bromothiophen-2-yl)-2-ethoxyethanol
CID 79567182
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
4-(4-bromothiophen-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015944
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol (CID 3046798) is 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is YBKHAXUQGDNHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-6(2)11-4-8(12)9-3-7(10)5-13-9/h3,5-6,8,11-12H,4H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol?
1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 264.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 3046798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).