[(4-Bromothiophen-2-yl)methyl](2-methylpropyl)amine

HCID 28833175

Notes Reactions

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Basic information

Standard SMILES: CC(C)CNCc1cc(Br)cs1
InChIKey: VWVJHOTYYLZICK-UHFFFAOYSA-N
Molecular formula: C9H14BrNS
Average molar mass: 248.19 g/mol

Names & identifiers

Preferred name: [(4-Bromothiophen-2-yl)methyl](2-methylpropyl)amine
IUPAC: N-[(4-bromothiophen-2-yl)methyl]-2-methylpropan-1-amine

Names & synonyms

1040314-06-4[(4-Bromothiophen-2-yl)methyl](2-methylpropyl)aminen-((4-Bromothiophen-2-yl)methyl)-2-methylpropan-1-amineSCHEMBL2526951VWVJHOTYYLZICK-UHFFFAOYSA-NAKOS002652435CS-0274371(4-bromo-thiophen-2-ylmethyl)-isobutyl-amineEN300-169213

Database identifiers

PubChem CID: 28833175

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 40.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Related reactions

3 records

New reaction record

HRID 104109As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1665028As productuspto-grants-2011_10

HRID 1665029As reactantuspto-grants-2011_10

Compound notes

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