4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline

C15H24N2O2S — CID 79527456

IUPAC4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCC2CN(CC)CCO2)c1
InChIInChI=1S/C15H24N2O2S/c1-3-17-7-8-19-13(10-17)11-20-15-9-12(18-4-2)5-6-14(15)16/h5-6,9,13H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyVJZBCWQWLPPKPA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.48
Rot. Bonds6

About 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline

4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline (PubChem CID 79527456) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
PubChem CID79527456
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCC2CN(CC)CCO2)c1
InChIInChI=1S/C15H24N2O2S/c1-3-17-7-8-19-13(10-17)11-20-15-9-12(18-4-2)5-6-14(15)16/h5-6,9,13H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyVJZBCWQWLPPKPA-UHFFFAOYSA-N
XLogP2.48
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171648
4-chloro-3-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171348
3-bromo-4-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 82841559
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
(1R)-1-[4-[(4-ethylmorpholin-2-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718195
4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 79172249
2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
1-(4-ethoxyphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 79669715
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde
CID 79182841

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline (CID 79527456) is 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline is CCOc1ccc(N)c(SCC2CN(CC)CCO2)c1.
What is the InChIKey of 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline?
The InChIKey is VJZBCWQWLPPKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-17-7-8-19-13(10-17)11-20-15-9-12(18-4-2)5-6-14(15)16/h5-6,9,13H,3-4,7-8,10-11,16H2,1-2H3.
What are the key properties of 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline?
4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline has a molecular weight of 296.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79527456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).