2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol

C16H22N2O2S — CID 23286942

IUPAC2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCc1cscc1-c1cc(N(CCO)CCO)ccc1N
InChIInChI=1S/C16H22N2O2S/c1-2-12-10-21-11-15(12)14-9-13(3-4-16(14)17)18(5-7-19)6-8-20/h3-4,9-11,19-20H,2,5-8,17H2,1H3
InChIKeyIFIWAGNRENKBES-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.35
Rot. Bonds7

About 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol

2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 23286942) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID23286942
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCc1cscc1-c1cc(N(CCO)CCO)ccc1N
InChIInChI=1S/C16H22N2O2S/c1-2-12-10-21-11-15(12)14-9-13(3-4-16(14)17)18(5-7-19)6-8-20/h3-4,9-11,19-20H,2,5-8,17H2,1H3
InChIKeyIFIWAGNRENKBES-UHFFFAOYSA-N
XLogP2.35
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol (CID 23286942) is 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol is CCc1cscc1-c1cc(N(CCO)CCO)ccc1N.
What is the InChIKey of 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is IFIWAGNRENKBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-12-10-21-11-15(12)14-9-13(3-4-16(14)17)18(5-7-19)6-8-20/h3-4,9-11,19-20H,2,5-8,17H2,1H3.
What are the key properties of 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 306.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(4-ethylthiophen-3-yl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 23286942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).