2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol

C7H9Cl2NOS — CID 107961508

IUPAC2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol
SMILESOCCNCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NOS/c8-6-3-5(7(9)12-6)4-10-1-2-11/h3,10-11H,1-2,4H2
InChIKeyPODUCVTVTJQAKC-UHFFFAOYSA-N
MW226.13 g/mol
LogP2.14
Rot. Bonds4

About 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol

2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol (PubChem CID 107961508) has the molecular formula C7H9Cl2NOS and a molecular weight of 226.13 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol
PubChem CID107961508
Molecular FormulaC7H9Cl2NOS
Molecular Weight226.13 g/mol
Exact Mass224.98
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol
SMILESOCCNCc1cc(Cl)sc1Cl
InChIInChI=1S/C7H9Cl2NOS/c8-6-3-5(7(9)12-6)4-10-1-2-11/h3,10-11H,1-2,4H2
InChIKeyPODUCVTVTJQAKC-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 52.14
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-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol (CID 107961508) is 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol is OCCNCc1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol?
The InChIKey is PODUCVTVTJQAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NOS/c8-6-3-5(7(9)12-6)4-10-1-2-11/h3,10-11H,1-2,4H2.
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol?
2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol has a molecular weight of 226.13 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)methylamino]ethanol is sourced from PubChem (CID 107961508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).