2-[(4-bromothiophen-2-yl)methylamino]ethanol

C7H10BrNOS — CID 28833046

IUPAC2-[(4-bromothiophen-2-yl)methylamino]ethanol
SMILESOCCNCc1cc(Br)cs1
InChIInChI=1S/C7H10BrNOS/c8-6-3-7(11-5-6)4-9-1-2-10/h3,5,9-10H,1-2,4H2
InChIKeyOJWIDTYBTFROLT-UHFFFAOYSA-N
MW236.13 g/mol
LogP1.59
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylamino]ethanol

2-[(4-bromothiophen-2-yl)methylamino]ethanol (PubChem CID 28833046) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]ethanol
PubChem CID28833046
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]ethanol
SMILESOCCNCc1cc(Br)cs1
InChIInChI=1S/C7H10BrNOS/c8-6-3-7(11-5-6)4-9-1-2-10/h3,5,9-10H,1-2,4H2
InChIKeyOJWIDTYBTFROLT-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 51.59
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-bromothiophen-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]ethanol (CID 28833046) is 2-[(4-bromothiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]ethanol is OCCNCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]ethanol?
The InChIKey is OJWIDTYBTFROLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c8-6-3-7(11-5-6)4-9-1-2-10/h3,5,9-10H,1-2,4H2.
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]ethanol?
2-[(4-bromothiophen-2-yl)methylamino]ethanol has a molecular weight of 236.13 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 28833046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).