N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine

C17H28N2S — CID 103783303

IUPACN-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCN2CCSCC2)cc1C
InChIInChI=1S/C17H28N2S/c1-13-11-15(3)17(12-14(13)2)16(4)18-5-6-19-7-9-20-10-8-19/h11-12,16,18H,5-10H2,1-4H3
InChIKeyJNSQWSBJQPOYAL-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.31
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine

N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 103783303) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID103783303
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCN2CCSCC2)cc1C
InChIInChI=1S/C17H28N2S/c1-13-11-15(3)17(12-14(13)2)16(4)18-5-6-19-7-9-20-10-8-19/h11-12,16,18H,5-10H2,1-4H3
InChIKeyJNSQWSBJQPOYAL-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917504
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324981
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
CID 103783201
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861135
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
CID 106840594
N-[2-(trifluoromethylsulfanyl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106426996

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 103783303) is N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(C)NCCN2CCSCC2)cc1C.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is JNSQWSBJQPOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13-11-15(3)17(12-14(13)2)16(4)18-5-6-19-7-9-20-10-8-19/h11-12,16,18H,5-10H2,1-4H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 292.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 103783303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).