[(5-bromothiophen-2-yl)-methylamino]methanol

C6H8BrNOS — CID 115228803

IUPAC[(5-bromothiophen-2-yl)-methylamino]methanol
SMILESCN(CO)c1ccc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-8(4-9)6-3-2-5(7)10-6/h2-3,9H,4H2,1H3
InChIKeyJKFFNSLEBHZJCC-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.90
Rot. Bonds2

About [(5-bromothiophen-2-yl)-methylamino]methanol

[(5-bromothiophen-2-yl)-methylamino]methanol (PubChem CID 115228803) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is [(5-bromothiophen-2-yl)-methylamino]methanol.

Molecular Properties

Compound Name[(5-bromothiophen-2-yl)-methylamino]methanol
PubChem CID115228803
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name[(5-bromothiophen-2-yl)-methylamino]methanol
SMILESCN(CO)c1ccc(Br)s1
InChIInChI=1S/C6H8BrNOS/c1-8(4-9)6-3-2-5(7)10-6/h2-3,9H,4H2,1H3
InChIKeyJKFFNSLEBHZJCC-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
CID 115136851
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
CID 115201088
4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087
4-[(5-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220620
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922
3-[(5-bromothiophen-2-yl)-methylamino]-2,2-dimethylpropanenitrile
CID 115233901
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
CID 115245691
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-2-yl)-methylamino]methanol?
The IUPAC name of [(5-bromothiophen-2-yl)-methylamino]methanol (CID 115228803) is [(5-bromothiophen-2-yl)-methylamino]methanol.
What is the SMILES notation for [(5-bromothiophen-2-yl)-methylamino]methanol?
The canonical SMILES for [(5-bromothiophen-2-yl)-methylamino]methanol is CN(CO)c1ccc(Br)s1.
What is the InChIKey of [(5-bromothiophen-2-yl)-methylamino]methanol?
The InChIKey is JKFFNSLEBHZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c1-8(4-9)6-3-2-5(7)10-6/h2-3,9H,4H2,1H3.
What are the key properties of [(5-bromothiophen-2-yl)-methylamino]methanol?
[(5-bromothiophen-2-yl)-methylamino]methanol has a molecular weight of 222.11 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-2-yl)-methylamino]methanol is sourced from PubChem (CID 115228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).