2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol

C18H23NOS — CID 145133265

IUPAC2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccccc1Sc1ccc(C)cc1C
InChIInChI=1S/C18H23NOS/c1-4-19(11-12-20)16-7-5-6-8-18(16)21-17-10-9-14(2)13-15(17)3/h5-10,13,20H,4,11-12H2,1-3H3
InChIKeyPIHWLTITKVVIDR-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.27
Rot. Bonds6

About 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol

2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol (PubChem CID 145133265) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol
PubChem CID145133265
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccccc1Sc1ccc(C)cc1C
InChIInChI=1S/C18H23NOS/c1-4-19(11-12-20)16-7-5-6-8-18(16)21-17-10-9-14(2)13-15(17)3/h5-10,13,20H,4,11-12H2,1-3H3
InChIKeyPIHWLTITKVVIDR-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
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CID 57376084
2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
3-(N-ethyl-2,5-dimethylanilino)propan-1-ol
CID 110935894
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]ethanone
CID 14797593
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
tert-butyl N-[2-[2-(2,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-N-(2-hydroxyethyl)carbamate
CID 126602025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol (CID 145133265) is 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol is CCN(CCO)c1ccccc1Sc1ccc(C)cc1C.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol?
The InChIKey is PIHWLTITKVVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-19(11-12-20)16-7-5-6-8-18(16)21-17-10-9-14(2)13-15(17)3/h5-10,13,20H,4,11-12H2,1-3H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol?
2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol has a molecular weight of 301.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)sulfanyl-N-ethylanilino]ethanol is sourced from PubChem (CID 145133265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).