2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine

C17H28N2S — CID 106445245

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)C1CSCCN1C
InChIInChI=1S/C17H28N2S/c1-5-18-16(17-12-20-9-8-19(17)4)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,5,8-9,11-12H2,1-4H3
InChIKeyYOVSSFMPHAAFHL-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.87
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106445245) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106445245
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)C1CSCCN1C
InChIInChI=1S/C17H28N2S/c1-5-18-16(17-12-20-9-8-19(17)4)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,5,8-9,11-12H2,1-4H3
InChIKeyYOVSSFMPHAAFHL-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445293
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093851
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106445245) is 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine is CCNC(Cc1ccc(C)c(C)c1)C1CSCCN1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is YOVSSFMPHAAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-5-18-16(17-12-20-9-8-19(17)4)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 292.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106445245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).