2-(4-amino-3-ethoxyphenyl)sulfanylethanol

C10H15NO2S — CID 63676764

IUPAC2-(4-amino-3-ethoxyphenyl)sulfanylethanol
SMILESCCOc1cc(SCCO)ccc1N
InChIInChI=1S/C10H15NO2S/c1-2-13-10-7-8(14-6-5-12)3-4-9(10)11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyNKTDFZPDYIXOJK-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.75
Rot. Bonds5

About 2-(4-amino-3-ethoxyphenyl)sulfanylethanol

2-(4-amino-3-ethoxyphenyl)sulfanylethanol (PubChem CID 63676764) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxyphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-amino-3-ethoxyphenyl)sulfanylethanol
PubChem CID63676764
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(4-amino-3-ethoxyphenyl)sulfanylethanol
SMILESCCOc1cc(SCCO)ccc1N
InChIInChI=1S/C10H15NO2S/c1-2-13-10-7-8(14-6-5-12)3-4-9(10)11/h3-4,7,12H,2,5-6,11H2,1H3
InChIKeyNKTDFZPDYIXOJK-UHFFFAOYSA-N
XLogP1.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.75
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

3-(4-amino-3-ethoxyphenyl)sulfanylpropan-1-ol
CID 66114932
2-ethoxy-4-propylsulfanylaniline
CID 63677395
2-(4-amino-3-methoxyphenyl)sulfanylethanol
CID 63676763
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030
2-ethoxy-4-naphthalen-2-ylsulfanylaniline
CID 63676558
2-ethoxy-4-pyrimidin-4-ylsulfanylaniline
CID 63696377
4-cyclopentylsulfanyl-2-ethoxyaniline
CID 63677184
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616
4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
CID 63677822

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxyphenyl)sulfanylethanol?
The IUPAC name of 2-(4-amino-3-ethoxyphenyl)sulfanylethanol (CID 63676764) is 2-(4-amino-3-ethoxyphenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-amino-3-ethoxyphenyl)sulfanylethanol?
The canonical SMILES for 2-(4-amino-3-ethoxyphenyl)sulfanylethanol is CCOc1cc(SCCO)ccc1N.
What is the InChIKey of 2-(4-amino-3-ethoxyphenyl)sulfanylethanol?
The InChIKey is NKTDFZPDYIXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-13-10-7-8(14-6-5-12)3-4-9(10)11/h3-4,7,12H,2,5-6,11H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxyphenyl)sulfanylethanol?
2-(4-amino-3-ethoxyphenyl)sulfanylethanol has a molecular weight of 213.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxyphenyl)sulfanylethanol is sourced from PubChem (CID 63676764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).