Basic information
- CAS
53622-73-4- Standard SMILES
Cc1c(CCN)ccc(O)c1O- InChIKey
NSEVRAZZUOXAHQ-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Overview
2-Methyldopamine is a catecholamine.
Names & identifiers
- Preferred name
- 2-Methyldopamine
- IUPAC
- 4-(2-aminoethyl)-3-methylbenzene-1,2-diol
Names & synonyms
2-MethyldopamineUNII-9N03V8M0SG9N03V8M0SG1,2-Benzenediol, 4-(2-aminoethyl)-3-methyl-53622-73-44-(2-aminoethyl)-3-methylbenzene-1,2-diolPhenol,4-(2-aminoethyl)-2-methoxy-SCHEMBL265021CHEBI:182772NS00002568Q27272760
Database identifiers
- CAS
53622-73-4- PubChem CID
- 68384
- ChEBI
CHEBI:182772- UNII
- 9N03V8M0SG
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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