2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine

C10H13BrN2S — CID 84641786

IUPAC2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
SMILESNCCC1CSc2cc(Br)ccc2N1
InChIInChI=1S/C10H13BrN2S/c11-7-1-2-9-10(5-7)14-6-8(13-9)3-4-12/h1-2,5,8,13H,3-4,6,12H2
InChIKeyNDAHZSIZASRIRM-UHFFFAOYSA-N
MW273.20 g/mol
LogP2.68
Rot. Bonds2

About 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine

2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine (PubChem CID 84641786) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
PubChem CID84641786
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
SMILESNCCC1CSc2cc(Br)ccc2N1
InChIInChI=1S/C10H13BrN2S/c11-7-1-2-9-10(5-7)14-6-8(13-9)3-4-12/h1-2,5,8,13H,3-4,6,12H2
InChIKeyNDAHZSIZASRIRM-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84630120
CID 101024891
CID 101024891
2-(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84625965
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
3-(7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84634423
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83867014
(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83912845
2-(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)acetonitrile
CID 84621093
3-ethyl-7-methylsulfonyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84636683
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84636914
(6-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanol
CID 84622170

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
The IUPAC name of 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine (CID 84641786) is 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine is NCCC1CSc2cc(Br)ccc2N1.
What is the InChIKey of 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
The InChIKey is NDAHZSIZASRIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c11-7-1-2-9-10(5-7)14-6-8(13-9)3-4-12/h1-2,5,8,13H,3-4,6,12H2.
What are the key properties of 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine?
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine has a molecular weight of 273.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine is sourced from PubChem (CID 84641786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).