Basic information
- CAS
63925-49-5- Standard SMILES
CCCN(CCc1ccccc1)CCc1ccc(O)c(O)c1- InChIKey
MRIDNSCAXRTEDV-UHFFFAOYSA-N- Molecular formula
- C19H25NO2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.18852904
Names & identifiers
- Preferred name
- 4-{2-[(2-Phenylethyl)(propyl)amino]ethyl}benzene-1,2-diol
- IUPAC
- 4-[2-[2-phenylethyl(propyl)amino]ethyl]benzene-1,2-diol
- English name
- 4-[2-[(2-Phenylethyl)propylamino]ethyl]-1,2-benzenediol
- Molecular formula
- C19H25NO2
- Molecular weight
- 299.41
Names & synonyms
63925-49-54-{2-[(2-PHENYLETHYL)(PROPYL)AMINO]ETHYL}BENZENE-1,2-DIOLCHEMBL3301906SCHEMBL10428293DTXSID00388850MRIDNSCAXRTEDV-UHFFFAOYSA-NN-phenethyl-N-propyl-3,4-dihydroxyphenethylamineN-Propyl-N-phenethyldopamineN-n-Propyl-N-phenethyldopamine4-[2-[(2-Phenylethyl)propylamino]ethyl]-1,2-benzenediol1,2-Benzenediol, 4-[2-[(2-phenylethyl)propylamino]ethyl]-
Database identifiers
- CAS
63925-49-5- PubChem CID
- 3048688
- DTXSID
DTXSID00388850- ChEMBL
CHEMBL3301906- Nikkaji
- J248.145F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 291
Related reactions
1 records
Compound notes
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