1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

C16H25NO2S2 — CID 103345808

IUPAC1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(c1c(OC)cccc1OC)C1CSC(C)C(C)S1
InChIInChI=1S/C16H25NO2S2/c1-10-11(2)21-14(9-20-10)16(17-3)15-12(18-4)7-6-8-13(15)19-5/h6-8,10-11,14,16-17H,9H2,1-5H3
InChIKeySLZXIRJZEDRNEA-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (PubChem CID 103345808) has the molecular formula C16H25NO2S2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
PubChem CID103345808
Molecular FormulaC16H25NO2S2
Molecular Weight327.52 g/mol
Exact Mass327.13
IUPAC Name1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(c1c(OC)cccc1OC)C1CSC(C)C(C)S1
InChIInChI=1S/C16H25NO2S2/c1-10-11(2)21-14(9-20-10)16(17-3)15-12(18-4)7-6-8-13(15)19-5/h6-8,10-11,14,16-17H,9H2,1-5H3
InChIKeySLZXIRJZEDRNEA-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 103345711
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 103345763
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 103346029
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345806
1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345943
[(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 103347267
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103345994
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluorophenyl)methyl]ethanamine
CID 103346193
[(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234975
N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (CID 103345808) is 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is CNC(c1c(OC)cccc1OC)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The InChIKey is SLZXIRJZEDRNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S2/c1-10-11(2)21-14(9-20-10)16(17-3)15-12(18-4)7-6-8-13(15)19-5/h6-8,10-11,14,16-17H,9H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine has a molecular weight of 327.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103345808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).