2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline

C15H17NO2S — CID 63675963

IUPAC2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
SMILESCCOc1cc(Sc2cccc(OC)c2)ccc1N
InChIInChI=1S/C15H17NO2S/c1-3-18-15-10-13(7-8-14(15)16)19-12-6-4-5-11(9-12)17-2/h4-10H,3,16H2,1-2H3
InChIKeyOYMOUDGVCSYSJS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.83
Rot. Bonds5

About 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline

2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline (PubChem CID 63675963) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
PubChem CID63675963
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
SMILESCCOc1cc(Sc2cccc(OC)c2)ccc1N
InChIInChI=1S/C15H17NO2S/c1-3-18-15-10-13(7-8-14(15)16)19-12-6-4-5-11(9-12)17-2/h4-10H,3,16H2,1-2H3
InChIKeyOYMOUDGVCSYSJS-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
CID 63677822
2-ethoxy-4-naphthalen-2-ylsulfanylaniline
CID 63676558
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616
4-(3-methylphenyl)sulfanyl-2-propoxyaniline
CID 55233170
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-ethoxyaniline
CID 115478280
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
2-ethoxy-4-propylsulfanylaniline
CID 63677395
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline?
The IUPAC name of 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline (CID 63675963) is 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline.
What is the SMILES notation for 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline?
The canonical SMILES for 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline is CCOc1cc(Sc2cccc(OC)c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline?
The InChIKey is OYMOUDGVCSYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-18-15-10-13(7-8-14(15)16)19-12-6-4-5-11(9-12)17-2/h4-10H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline?
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline has a molecular weight of 275.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline is sourced from PubChem (CID 63675963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).