1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride

C9H14Br2ClNOS — CID 3044791

IUPAC1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1scc(Br)c1Br.Cl
InChIInChI=1S/C9H13Br2NOS.ClH/c1-5(2)12-3-7(13)9-8(11)6(10)4-14-9;/h4-5,7,12-13H,3H2,1-2H3;1H
InChIKeyQUZMJYTXSPXGRS-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.73
Rot. Bonds4

About 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride

1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 3044791) has the molecular formula C9H14Br2ClNOS and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID3044791
Molecular FormulaC9H14Br2ClNOS
Molecular Weight379.55 g/mol
Exact Mass376.89
IUPAC Name1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1scc(Br)c1Br.Cl
InChIInChI=1S/C9H13Br2NOS.ClH/c1-5(2)12-3-7(13)9-8(11)6(10)4-14-9;/h4-5,7,12-13H,3H2,1-2H3;1H
InChIKeyQUZMJYTXSPXGRS-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 3044791) is 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NCC(O)c1scc(Br)c1Br.Cl.
What is the InChIKey of 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is QUZMJYTXSPXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NOS.ClH/c1-5(2)12-3-7(13)9-8(11)6(10)4-14-9;/h4-5,7,12-13H,3H2,1-2H3;1H.
What are the key properties of 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 379.55 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 3044791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).