1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine

C15H24N2S — CID 114055079

IUPAC1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1N1CC(C)SC(C)C1
InChIInChI=1S/C15H24N2S/c1-11-5-6-15(14(7-11)8-16-4)17-9-12(2)18-13(3)10-17/h5-7,12-13,16H,8-10H2,1-4H3
InChIKeyTYYFATOOFTZFMP-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine

1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine (PubChem CID 114055079) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine
PubChem CID114055079
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1N1CC(C)SC(C)C1
InChIInChI=1S/C15H24N2S/c1-11-5-6-15(14(7-11)8-16-4)17-9-12(2)18-13(3)10-17/h5-7,12-13,16H,8-10H2,1-4H3
InChIKeyTYYFATOOFTZFMP-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055090
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 114054998
4-[4-chloro-2-(chloromethyl)phenyl]-2,6-dimethylthiomorpholine
CID 114846712
N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114054867
1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
CID 114055065
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
5-(aminomethyl)-2-(2,6-dimethylthiomorpholin-4-yl)benzonitrile
CID 114063792
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
N-[[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 114851609
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine (CID 114055079) is 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1N1CC(C)SC(C)C1.
What is the InChIKey of 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine?
The InChIKey is TYYFATOOFTZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-5-6-15(14(7-11)8-16-4)17-9-12(2)18-13(3)10-17/h5-7,12-13,16H,8-10H2,1-4H3.
What are the key properties of 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine?
1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 114055079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).