4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline

C16H19NOS — CID 63676554

IUPAC4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline
SMILESCCOc1cc(Sc2cc(C)ccc2C)ccc1N
InChIInChI=1S/C16H19NOS/c1-4-18-15-10-13(7-8-14(15)17)19-16-9-11(2)5-6-12(16)3/h5-10H,4,17H2,1-3H3
InChIKeyQURJVPORSZOIJA-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.44
Rot. Bonds4

About 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline

4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline (PubChem CID 63676554) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline
PubChem CID63676554
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline
SMILESCCOc1cc(Sc2cc(C)ccc2C)ccc1N
InChIInChI=1S/C16H19NOS/c1-4-18-15-10-13(7-8-14(15)17)19-16-9-11(2)5-6-12(16)3/h5-10H,4,17H2,1-3H3
InChIKeyQURJVPORSZOIJA-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616
4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
CID 63675968
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030
2-ethoxy-4-naphthalen-2-ylsulfanylaniline
CID 63676558
2-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63677183
4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
CID 63677822
2-ethoxy-4-propylsulfanylaniline
CID 63677395
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
4-(3-methylphenyl)sulfanyl-2-propoxyaniline
CID 55233170
2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921549
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-ethoxyaniline
CID 115478280

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline (CID 63676554) is 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline is CCOc1cc(Sc2cc(C)ccc2C)ccc1N.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline?
The InChIKey is QURJVPORSZOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-18-15-10-13(7-8-14(15)17)19-16-9-11(2)5-6-12(16)3/h5-10H,4,17H2,1-3H3.
What are the key properties of 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline?
4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline has a molecular weight of 273.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline is sourced from PubChem (CID 63676554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).