2-[(4-thiophen-2-ylphenyl)methylamino]ethanol

C13H15NOS — CID 90788245

IUPAC2-[(4-thiophen-2-ylphenyl)methylamino]ethanol
SMILESOCCNCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c15-8-7-14-10-11-3-5-12(6-4-11)13-2-1-9-16-13/h1-6,9,14-15H,7-8,10H2
InChIKeyRGSVNRRRMSPJKC-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.50
Rot. Bonds5

About 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol

2-[(4-thiophen-2-ylphenyl)methylamino]ethanol (PubChem CID 90788245) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-thiophen-2-ylphenyl)methylamino]ethanol
PubChem CID90788245
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-[(4-thiophen-2-ylphenyl)methylamino]ethanol
SMILESOCCNCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H15NOS/c15-8-7-14-10-11-3-5-12(6-4-11)13-2-1-9-16-13/h1-6,9,14-15H,7-8,10H2
InChIKeyRGSVNRRRMSPJKC-UHFFFAOYSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol?
The IUPAC name of 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol (CID 90788245) is 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol is OCCNCc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol?
The InChIKey is RGSVNRRRMSPJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-8-7-14-10-11-3-5-12(6-4-11)13-2-1-9-16-13/h1-6,9,14-15H,7-8,10H2.
What are the key properties of 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol?
2-[(4-thiophen-2-ylphenyl)methylamino]ethanol has a molecular weight of 233.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-thiophen-2-ylphenyl)methylamino]ethanol is sourced from PubChem (CID 90788245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).