2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline

C16H19NO2S — CID 139913832

IUPAC2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline
SMILESCCOCCOc1ccc(Sc2ccccc2N)cc1
InChIInChI=1S/C16H19NO2S/c1-2-18-11-12-19-13-7-9-14(10-8-13)20-16-6-4-3-5-15(16)17/h3-10H,2,11-12,17H2,1H3
InChIKeyXXLNDMOYDIIYSZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.84
Rot. Bonds7

About 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline

2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline (PubChem CID 139913832) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline
PubChem CID139913832
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline
SMILESCCOCCOc1ccc(Sc2ccccc2N)cc1
InChIInChI=1S/C16H19NO2S/c1-2-18-11-12-19-13-7-9-14(10-8-13)20-16-6-4-3-5-15(16)17/h3-10H,2,11-12,17H2,1H3
InChIKeyXXLNDMOYDIIYSZ-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
CID 57317041
4-(2-ethoxyethoxy)aniline
CID 16641299
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
2-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline
CID 142730597
4-(2-ethoxyphenyl)sulfanylaniline
CID 70586247
4-(3-ethoxypropoxy)aniline
CID 43365878
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
1,2,3,4-tetrakis[(4-butoxyphenyl)sulfanyl]benzene
CID 177307611
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
2-(2-ethoxyethylsulfanyl)ethoxybenzene
CID 112777213
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline?
The IUPAC name of 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline (CID 139913832) is 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline is CCOCCOc1ccc(Sc2ccccc2N)cc1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline?
The InChIKey is XXLNDMOYDIIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-18-11-12-19-13-7-9-14(10-8-13)20-16-6-4-3-5-15(16)17/h3-10H,2,11-12,17H2,1H3.
What are the key properties of 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline?
2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline has a molecular weight of 289.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline is sourced from PubChem (CID 139913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).