Basic information
- CAS
60000-02-4- Standard SMILES
Cl.Oc1ccc(CNCCc2ccccc2)cc1- InChIKey
XPNSRMHHZMVHAX-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO
- Average molar mass
- 263.76 g/mol
- Monoisotopic mass
- 263.1076919
Names & identifiers
- Preferred name
- Phenol, 4-(((2-phenylethyl)amino)methyl)-, hydrochloride
- IUPAC
- 4-[(2-phenylethylamino)methyl]phenol;hydrochloride
Names & synonyms
Phenol, 4-(((2-phenylethyl)amino)methyl)-, hydrochloride4-(((2-Phenylethyl)amino)methyl)phenol hydrochloride60000-02-4DTXSID80208709RefChem:369185DTXCID801312004-{[(2-Phenylethyl)amino]methyl}phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
60000-02-4- PubChem CID
- 3042575
- DTXSID
DTXSID80208709
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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