2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine

C15H24N2OS — CID 43089491

IUPAC2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H24N2OS/c1-11-9-17(10-12(2)18-11)15(8-16)13-4-6-14(19-3)7-5-13/h4-7,11-12,15H,8-10,16H2,1-3H3
InChIKeyAGBRFKMPGSMRSL-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine

2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 43089491) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
PubChem CID43089491
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C15H24N2OS/c1-11-9-17(10-12(2)18-11)15(8-16)13-4-6-14(19-3)7-5-13/h4-7,11-12,15H,8-10,16H2,1-3H3
InChIKeyAGBRFKMPGSMRSL-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine (CID 43089491) is 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(CN)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is AGBRFKMPGSMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-9-17(10-12(2)18-11)15(8-16)13-4-6-14(19-3)7-5-13/h4-7,11-12,15H,8-10,16H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 280.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43089491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).