2-(2,6-Dimethoxyphenyl)ethanamine

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Basic information

CAS: 486-95-3
Standard SMILES: COc1cccc(OC)c1CCN
InChIKey: VIHNHLSXVPNVPY-UHFFFAOYSA-N
Molecular formula: C10H15NO2
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.11027872

Names & identifiers

Preferred name: 2-(2,6-Dimethoxyphenyl)ethanamine
IUPAC: 2-(2,6-dimethoxyphenyl)ethanamine

Names & synonyms

2-(2,6-dimethoxyphenyl)ethan-1-amine2-(2,6-dimethoxyphenyl)ethanamine486-95-32,6-dimethoxyphenethylamineDopamine Impurity 682,6-dimethoxy-phenethylamineSCHEMBL6963550SCHEMBL28158712VIHNHLSXVPNVPY-UHFFFAOYSA-NAKOS006287944EN300-1853471

Database identifiers

CAS: 486-95-3
PubChem CID: 417602
EC Number: 884-181-9
Nikkaji: J3.034.523A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 129

Related reactions

3 records

New reaction record

HRID 233689As productuspto-grants-1997_01

HRID 861585As productuspto-grants-1998_02

HRID 2257768As productuspto-grants-1997_08

Compound notes

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