1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol

C10H16BrNOS — CID 3046799

IUPAC1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NCC(O)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-10(2,3)12-5-8(13)9-4-7(11)6-14-9/h4,6,8,12-13H,5H2,1-3H3
InChIKeyCWFHOCHQIBXNBI-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol

1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol (PubChem CID 3046799) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol
PubChem CID3046799
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NCC(O)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-10(2,3)12-5-8(13)9-4-7(11)6-14-9/h4,6,8,12-13H,5H2,1-3H3
InChIKeyCWFHOCHQIBXNBI-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol (CID 3046799) is 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol is CC(C)(C)NCC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol?
The InChIKey is CWFHOCHQIBXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-10(2,3)12-5-8(13)9-4-7(11)6-14-9/h4,6,8,12-13H,5H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol?
1-(4-bromothiophen-2-yl)-2-(tert-butylamino)ethanol has a molecular weight of 278.22 g/mol, XLogP of 2.93, 3 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-(tert-butylamino)ethanol is sourced from PubChem (CID 3046799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).