2,2-Dimethoxy-N-(thiophen-2-ylmethyl)ethanamine

HCID 12337020

Notes Reactions

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Basic information

Standard SMILES: COC(CNCc1cccs1)OC
InChIKey: FOYSLXMZNZUMPG-UHFFFAOYSA-N
Molecular formula: C9H15NO2S
Average molar mass: 201.29 g/mol

Names & identifiers

Preferred name: 2,2-Dimethoxy-N-(thiophen-2-ylmethyl)ethanamine
IUPAC: 2,2-dimethoxy-N-(thiophen-2-ylmethyl)ethanamine

Names & synonyms

2,2-Dimethoxy-N-(thiophen-2-ylmethyl)ethanamine58754-99-7SCHEMBL2986077FOYSLXMZNZUMPG-UHFFFAOYSA-NAKOS009007402DA-046322,2-Dimethoxy-N-(thiophen-2-ylmethyl)ethan-1-amine

Database identifiers

PubChem CID: 12337020

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 131

Related reactions

6 records

New reaction record

HRID 507673As productuspto-grants-2010_08

HRID 507674As reactantuspto-grants-2010_08

HRID 804760As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1229895As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2267450As productuspto-grants-2010_12

HRID 2267451As reactantuspto-grants-2010_12

Compound notes

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