2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol

C10H16BrNO2S — CID 102831297

IUPAC2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol
SMILESCc1sc(CNCCOCCO)cc1Br
InChIInChI=1S/C10H16BrNO2S/c1-8-10(11)6-9(15-8)7-12-2-4-14-5-3-13/h6,12-13H,2-5,7H2,1H3
InChIKeyBIRLXSZMOYUBSO-UHFFFAOYSA-N
MW294.21 g/mol
LogP1.92
Rot. Bonds7

About 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol

2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol (PubChem CID 102831297) has the molecular formula C10H16BrNO2S and a molecular weight of 294.21 g/mol. Its IUPAC name is 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol
PubChem CID102831297
Molecular FormulaC10H16BrNO2S
Molecular Weight294.21 g/mol
Exact Mass293.01
IUPAC Name2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol
SMILESCc1sc(CNCCOCCO)cc1Br
InChIInChI=1S/C10H16BrNO2S/c1-8-10(11)6-9(15-8)7-12-2-4-14-5-3-13/h6,12-13H,2-5,7H2,1H3
InChIKeyBIRLXSZMOYUBSO-UHFFFAOYSA-N
XLogP1.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol (CID 102831297) is 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol is Cc1sc(CNCCOCCO)cc1Br.
What is the InChIKey of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is BIRLXSZMOYUBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S/c1-8-10(11)6-9(15-8)7-12-2-4-14-5-3-13/h6,12-13H,2-5,7H2,1H3.
What are the key properties of 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 294.21 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 102831297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).