2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol

C10H15Br2NOS — CID 3046803

IUPAC2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1scc(Br)c1Br
InChIInChI=1S/C10H15Br2NOS/c1-10(2,3)13-4-7(14)9-8(12)6(11)5-15-9/h5,7,13-14H,4H2,1-3H3
InChIKeyMYWDVBBOWSVOLD-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.69
Rot. Bonds3

About 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol

2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol (PubChem CID 3046803) has the molecular formula C10H15Br2NOS and a molecular weight of 357.11 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol
PubChem CID3046803
Molecular FormulaC10H15Br2NOS
Molecular Weight357.11 g/mol
Exact Mass354.92
IUPAC Name2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol
SMILESCC(C)(C)NCC(O)c1scc(Br)c1Br
InChIInChI=1S/C10H15Br2NOS/c1-10(2,3)13-4-7(14)9-8(12)6(11)5-15-9/h5,7,13-14H,4H2,1-3H3
InChIKeyMYWDVBBOWSVOLD-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol (CID 3046803) is 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol is CC(C)(C)NCC(O)c1scc(Br)c1Br.
What is the InChIKey of 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol?
The InChIKey is MYWDVBBOWSVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NOS/c1-10(2,3)13-4-7(14)9-8(12)6(11)5-15-9/h5,7,13-14H,4H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol?
2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol has a molecular weight of 357.11 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3,4-dibromothiophen-2-yl)ethanol is sourced from PubChem (CID 3046803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).