2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine

C15H24N2OS — CID 61430214

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CCOCC2(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-15(2)11-18-9-8-17(15)14(10-16)12-4-6-13(19-3)7-5-12/h4-7,14H,8-11,16H2,1-3H3
InChIKeyWLDLKZVQYXIEPE-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.52
Rot. Bonds4

About 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 61430214) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
PubChem CID61430214
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(CN)N2CCOCC2(C)C)cc1
InChIInChI=1S/C15H24N2OS/c1-15(2)11-18-9-8-17(15)14(10-16)12-4-6-13(19-3)7-5-12/h4-7,14H,8-11,16H2,1-3H3
InChIKeyWLDLKZVQYXIEPE-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-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine (CID 61430214) is 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(CN)N2CCOCC2(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is WLDLKZVQYXIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2)11-18-9-8-17(15)14(10-16)12-4-6-13(19-3)7-5-12/h4-7,14H,8-11,16H2,1-3H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine?
2-(3,3-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-(3,3-dimethylmorpholin-4-yl)-2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 61430214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).