1-(4-Methylphenyl)-1-phenylpropan-2-amine
Basic information
- CAS
802259-63-8- Standard SMILES
Cc1ccc(C(c2ccccc2)C(C)N)cc1- InChIKey
IOOKNUTVYSLWHN-UHFFFAOYSA-N- Molecular formula
- C16H19N
- Average molar mass
- 225.33 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-1-phenylpropan-2-amine
- IUPAC
- 1-(4-methylphenyl)-1-phenylpropan-2-amine
- English name
- Phenethylamine, p,alpha-dimethyl-ba-phenyl- (8CI)
- Molecular formula
- C16H19N
- Molecular weight
- 225.32876
Names & synonyms
SCHEMBL13888777Phenethylamine, p,alpha-dimethyl-bBenzeneethanamine, α,4-dimethyl-β-phenyl-Phenethylamine,p,alpha-dimethyl-bta-phenyl-(8CI)Phenethylamine, p,alpha-dimethyl-ba-phenyl- (8CI)
Database identifiers
- CAS
802259-63-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 343.4 · 343.4±11.0 °C(Predicted)
- Density
- 1.01 · 1.010±0.06 g/cm3(Predicted)
- pka
- 9.33 · 9.33±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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