2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine

C15H18N2OS — CID 107643474

IUPAC2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
SMILESCCOc1cc(Nc2ccccc2SC)ccc1N
InChIInChI=1S/C15H18N2OS/c1-3-18-14-10-11(8-9-12(14)16)17-13-6-4-5-7-15(13)19-2/h4-10,17H,3,16H2,1-2H3
InChIKeyOJALCNOTVGLJHC-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.13
Rot. Bonds5

About 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine

2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine (PubChem CID 107643474) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
PubChem CID107643474
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
SMILESCCOc1cc(Nc2ccccc2SC)ccc1N
InChIInChI=1S/C15H18N2OS/c1-3-18-14-10-11(8-9-12(14)16)17-13-6-4-5-7-15(13)19-2/h4-10,17H,3,16H2,1-2H3
InChIKeyOJALCNOTVGLJHC-UHFFFAOYSA-N
XLogP4.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671289
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
methyl 2-amino-5-(2-methylsulfanylanilino)benzoate
CID 107645816
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
4-N-(4-bromo-2-chlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63670967
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine (CID 107643474) is 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine is CCOc1cc(Nc2ccccc2SC)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine?
The InChIKey is OJALCNOTVGLJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-18-14-10-11(8-9-12(14)16)17-13-6-4-5-7-15(13)19-2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine?
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine has a molecular weight of 274.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 107643474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).