1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride

C9H15BrClNOS — CID 3044788

IUPAC1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H14BrNOS.ClH/c1-6(2)11-5-7(12)8-3-4-9(10)13-8;/h3-4,6-7,11-12H,5H2,1-2H3;1H
InChIKeyUHJVRSVMJBBJGY-UHFFFAOYSA-N
MW300.65 g/mol
LogP2.96
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride

1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 3044788) has the molecular formula C9H15BrClNOS and a molecular weight of 300.65 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID3044788
Molecular FormulaC9H15BrClNOS
Molecular Weight300.65 g/mol
Exact Mass298.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H14BrNOS.ClH/c1-6(2)11-5-7(12)8-3-4-9(10)13-8;/h3-4,6-7,11-12H,5H2,1-2H3;1H
InChIKeyUHJVRSVMJBBJGY-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-isopropylamino-1-(3,4,5-tribromo-2-thienyl)-
CID 44117
Ethanol, 1-(4,5-dibromo-2-thienyl)-2-isopropylamino-, hydrochloride
CID 3044790
Ethanol, 2-tert-butylamino-1-(4,5-dibromo-2-thienyl)-
CID 3046800
2-(tert-Butylamino)-1-(3,5-dibromothiophen-2-yl)ethan-1-ol
CID 3046802
2-(tert-Butylamino)-1-(3,4-dibromothiophen-2-yl)ethan-1-ol
CID 3046803
Ethanol, 1-(3,4-dibromo-2-thienyl)-2-isopropylamino-, hydrochloride
CID 3044791
3-Chloro-alpha-(((1-methylethyl)amino)methyl)-2-thiophenemethanol
CID 3046789
Ethanol, 1-(5-bromo-2-thienyl)-2-tert-butylamino-
CID 3046796
1-(3-Bromothiophen-2-yl)-2-(tert-butylamino)ethan-1-ol
CID 3046797
Ethanol, 1-(4-bromo-2-thienyl)-2-isopropylamino-
CID 3046798
1-(4-Bromothiophen-2-yl)-2-(tert-butylamino)ethan-1-ol
CID 3046799
Ethanol, 1-(3,5-dibromo-2-thienyl)-2-isopropylamino-
CID 3046801

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 3044788) is 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NCC(O)c1ccc(Br)s1.Cl.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is UHJVRSVMJBBJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS.ClH/c1-6(2)11-5-7(12)8-3-4-9(10)13-8;/h3-4,6-7,11-12H,5H2,1-2H3;1H.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 300.65 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 3044788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).