2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride

C12H15BrClNOS — CID 11948737

IUPAC2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride
SMILESCN(CCO)Cc1csc2ccc(Br)cc12.Cl
InChIInChI=1S/C12H14BrNOS.ClH/c1-14(4-5-15)7-9-8-16-12-3-2-10(13)6-11(9)12;/h2-3,6,8,15H,4-5,7H2,1H3;1H
InChIKeyLFBCBQDULUVTHX-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.51
Rot. Bonds4

About 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride

2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride (PubChem CID 11948737) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride
PubChem CID11948737
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC Name2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride
SMILESCN(CCO)Cc1csc2ccc(Br)cc12.Cl
InChIInChI=1S/C12H14BrNOS.ClH/c1-14(4-5-15)7-9-8-16-12-3-2-10(13)6-11(9)12;/h2-3,6,8,15H,4-5,7H2,1H3;1H
InChIKeyLFBCBQDULUVTHX-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride (CID 11948737) is 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride is CN(CCO)Cc1csc2ccc(Br)cc12.Cl.
What is the InChIKey of 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride?
The InChIKey is LFBCBQDULUVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS.ClH/c1-14(4-5-15)7-9-8-16-12-3-2-10(13)6-11(9)12;/h2-3,6,8,15H,4-5,7H2,1H3;1H.
What are the key properties of 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride?
2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride has a molecular weight of 336.68 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol;hydrochloride is sourced from PubChem (CID 11948737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).