1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol

C11H17NO2S — CID 62264556

IUPAC1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
SMILESCOCCSCC(O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO2S/c1-14-6-7-15-8-11(13)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8,12H2,1H3
InChIKeyUNHMSMNQXOSMAR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.68
Rot. Bonds6

About 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol

1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol (PubChem CID 62264556) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
PubChem CID62264556
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
SMILESCOCCSCC(O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO2S/c1-14-6-7-15-8-11(13)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8,12H2,1H3
InChIKeyUNHMSMNQXOSMAR-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
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-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
tert-butyl 2-[2-(4-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 116686958
1-(4-aminophenyl)-2-benzylsulfanylethanol
CID 62265593
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
CID 62266291
3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
CID 64537302
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
1-(2-methoxyethylsulfanylmethyl)-4-propan-2-ylbenzene
CID 112815273
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
CID 63835748
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol (CID 62264556) is 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol is COCCSCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol?
The InChIKey is UNHMSMNQXOSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-14-6-7-15-8-11(13)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8,12H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol?
1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol is sourced from PubChem (CID 62264556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).