1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine

C14H22N2OS — CID 84640236

IUPAC1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
SMILESCNCC1Sc2c(C)ccc(OC)c2N(C)C1C
InChIInChI=1S/C14H22N2OS/c1-9-6-7-11(17-5)13-14(9)18-12(8-15-3)10(2)16(13)4/h6-7,10,12,15H,8H2,1-5H3
InChIKeyBMTYGOBVBHRZCC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine

1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine (PubChem CID 84640236) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
PubChem CID84640236
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
SMILESCNCC1Sc2c(C)ccc(OC)c2N(C)C1C
InChIInChI=1S/C14H22N2OS/c1-9-6-7-11(17-5)13-14(9)18-12(8-15-3)10(2)16(13)4/h6-7,10,12,15H,8H2,1-5H3
InChIKeyBMTYGOBVBHRZCC-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazine-2-carbonitrile
CID 84633219
2-(5-methoxy-3,8-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84640231
5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621295
1-(3,4-dimethyl-7-methylsulfanyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine
CID 84640992
(7-methoxy-1,4-dimethyl-2,3-dihydroindol-2-yl)methanamine
CID 83860766
N-methyl-2-(3,4,7-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
CID 84633906
2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
CID 117032557
1-[1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55168856
2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204
4-(4-methoxy-3-methylphenyl)-N-methylbut-3-en-1-amine
CID 170495663
1-(7,8-dimethoxy-3,4-dihydro-2H-thiochromen-4-yl)-N-methylmethanamine
CID 15023236
1-[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 63216507

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine (CID 84640236) is 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine is CNCC1Sc2c(C)ccc(OC)c2N(C)C1C.
What is the InChIKey of 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
The InChIKey is BMTYGOBVBHRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-6-7-11(17-5)13-14(9)18-12(8-15-3)10(2)16(13)4/h6-7,10,12,15H,8H2,1-5H3.
What are the key properties of 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine?
1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine has a molecular weight of 266.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3,4,8-trimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84640236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).