2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine

C11H15FN2S — CID 84625093

IUPAC2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
SMILESCNCCN1CCSc2cc(F)ccc21
InChIInChI=1S/C11H15FN2S/c1-13-4-5-14-6-7-15-11-8-9(12)2-3-10(11)14/h2-3,8,13H,4-7H2,1H3
InChIKeyWAIBIZOKWLJPCJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.96
Rot. Bonds3

About 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine

2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine (PubChem CID 84625093) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
PubChem CID84625093
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
SMILESCNCCN1CCSc2cc(F)ccc21
InChIInChI=1S/C11H15FN2S/c1-13-4-5-14-6-7-15-11-8-9(12)2-3-10(11)14/h2-3,8,13H,4-7H2,1H3
InChIKeyWAIBIZOKWLJPCJ-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]-1-thiophen-2-ylethanone
CID 59144100
N'-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]thiophene-2-carboximidamide
CID 44546584
N'-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]furan-2-carboximidamide
CID 44600248
6-fluoro-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84618553
3-(6-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)propanoic acid
CID 84630016
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
N,N-diethyl-2-(7-nitro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 59144090
methyl-[2-(7-nitro-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]carbamic acid
CID 66704498
4-[2-(1-methylpyrrolidin-2-yl)ethyl]-7-nitro-2,3-dihydro-1,4-benzothiazine
CID 59144083
2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
CID 117031082

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine (CID 84625093) is 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine is CNCCN1CCSc2cc(F)ccc21.
What is the InChIKey of 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
The InChIKey is WAIBIZOKWLJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-13-4-5-14-6-7-15-11-8-9(12)2-3-10(11)14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine?
2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine is sourced from PubChem (CID 84625093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).