2-[(4-bromothiophen-3-yl)methylamino]ethanol

C7H10BrNOS — CID 130524619

IUPAC2-[(4-bromothiophen-3-yl)methylamino]ethanol
SMILESOCCNCc1cscc1Br
InChIInChI=1S/C7H10BrNOS/c8-7-5-11-4-6(7)3-9-1-2-10/h4-5,9-10H,1-3H2
InChIKeyCTOXLQYYYZUYPP-UHFFFAOYSA-N
MW236.13 g/mol
LogP1.59
Rot. Bonds4

About 2-[(4-bromothiophen-3-yl)methylamino]ethanol

2-[(4-bromothiophen-3-yl)methylamino]ethanol (PubChem CID 130524619) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 2-[(4-bromothiophen-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromothiophen-3-yl)methylamino]ethanol
PubChem CID130524619
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name2-[(4-bromothiophen-3-yl)methylamino]ethanol
SMILESOCCNCc1cscc1Br
InChIInChI=1S/C7H10BrNOS/c8-7-5-11-4-6(7)3-9-1-2-10/h4-5,9-10H,1-3H2
InChIKeyCTOXLQYYYZUYPP-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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Related Compounds

2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
3-[(5-Bromothiophen-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103625369
3-[(5-Bromothiophen-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731524
N-[(4-bromothiophen-3-yl)methyl]-2,2-dimethoxyethanamine
CID 90061639
N-[(4-bromothiophen-3-yl)methyl]-2,2-dimethoxyethanamine;ethane
CID 144580242
2-Hydroxyethyl(thiophen-3-ylmethyl)azanium
CID 8622985
2-[(Thiophen-3-ylmethyl)amino]ethan-1-ol hydrochloride
CID 17332315
3-[(5-Bromothiophen-3-yl)methylamino]propan-1-ol
CID 43647039
2-[(5-Bromothiophen-3-yl)methylamino]butan-1-ol
CID 43647042
2-[(5-Bromothiophen-3-yl)methylamino]-2-methylpropan-1-ol
CID 43647043
2-[(5-Bromothiophen-3-yl)methylamino]ethanol
CID 43647067
1-[(5-Bromothiophen-3-yl)methylamino]propan-2-ol
CID 43647090

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-3-yl)methylamino]ethanol?
The IUPAC name of 2-[(4-bromothiophen-3-yl)methylamino]ethanol (CID 130524619) is 2-[(4-bromothiophen-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-bromothiophen-3-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4-bromothiophen-3-yl)methylamino]ethanol is OCCNCc1cscc1Br.
What is the InChIKey of 2-[(4-bromothiophen-3-yl)methylamino]ethanol?
The InChIKey is CTOXLQYYYZUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c8-7-5-11-4-6(7)3-9-1-2-10/h4-5,9-10H,1-3H2.
What are the key properties of 2-[(4-bromothiophen-3-yl)methylamino]ethanol?
2-[(4-bromothiophen-3-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-3-yl)methylamino]ethanol is sourced from PubChem (CID 130524619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).