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

C11H15ClN2S — CID 84630649

IUPAC2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
SMILESCC1Nc2ccc(Cl)cc2SC1CCN
InChIInChI=1S/C11H15ClN2S/c1-7-10(4-5-13)15-11-6-8(12)2-3-9(11)14-7/h2-3,6-7,10,14H,4-5,13H2,1H3
InChIKeyATZDWQVOQWUIKR-UHFFFAOYSA-N
MW242.77 g/mol
LogP2.96
Rot. Bonds2

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

2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine (PubChem CID 84630649) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
PubChem CID84630649
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
SMILESCC1Nc2ccc(Cl)cc2SC1CCN
InChIInChI=1S/C11H15ClN2S/c1-7-10(4-5-13)15-11-6-8(12)2-3-9(11)14-7/h2-3,6-7,10,14H,4-5,13H2,1H3
InChIKeyATZDWQVOQWUIKR-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84625720
2-(5-chloro-3,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84636394
2-(5-bromo-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine
CID 84643694
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
CID 84624913
6-chloro-2-pyridin-4-yl-2,3-dihydro-1,3-benzothiazole
CID 91621445
(3,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
CID 84621174
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83868576
2-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzothiazine
CID 84630156
5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83486702
6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 83915776
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The IUPAC name of 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine (CID 84630649) is 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine is CC1Nc2ccc(Cl)cc2SC1CCN.
What is the InChIKey of 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
The InChIKey is ATZDWQVOQWUIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-7-10(4-5-13)15-11-6-8(12)2-3-9(11)14-7/h2-3,6-7,10,14H,4-5,13H2,1H3.
What are the key properties of 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine?
2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine has a molecular weight of 242.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanamine is sourced from PubChem (CID 84630649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).