5-(2-Aminopropyl)-2-methylphenol
Basic information
- CAS
21618-99-5- Standard SMILES
Cc1ccc(CC(C)N)cc1O- InChIKey
XWLXNPMITZDCHL-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 5-(2-Aminopropyl)-2-methylphenol
- IUPAC
- 5-(2-aminopropyl)-2-methylphenol
- English name
- 4, alpha-dimethyl-3-tyramine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
5-(2-Aminopropyl)-2-methylphenol21618-99-54, alpha-dimethyl-3-tyramineH77-774,alpha-Dimethyl-m-tyramine7641L2S2JIPhenol, 5-(2-aminopropyl)-2-methyl-4,alpha-Dimethyl-3-tyramine4,alpha-DimethylmetatyramineH-77/77SCHEMBL892653UNII-7641L2S2JI
Show more names
H7777,H77 77,H-77-77
XWLXNPMITZDCHL-UHFFFAOYSA-DTXSID60944219XWLXNPMITZDCHL-UHFFFAOYSA-NAKOS0234286874,.ALPHA.-DIMETHYL-M-TYRAMINE4-METHYL-.ALPHA.-METHYL-M-TYRAMINE5-(2-aminopropyl)-2-methylphenol hydrochloride4,.ALPHA.-DIMETHYL-M-TYRAMINE, (+/-)-
Database identifiers
- CAS
21618-99-5- PubChem CID
- 167995
- DTXSID
DTXSID60944219- UNII
- 7641L2S2JI
- Nikkaji
- J22.625D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 137.5 · 137.5-138.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 291.6 · 291.6±25.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- pka
- 10.33 · 10.33±0.10(Predicted)
- FDA UNII
- 7641 L2S2JI · 7641L2S2JI
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Compound notes
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