4-[(2S)-2-aminopropyl]-N,N,3-trimethylaniline

• ChemBase ID: 125797
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(c1cc(c(cc1)C[C@@H](N)C)C)(C)C
• Canonical SMILES: C[C@@H](Cc1ccc(cc1C)N(C)C)N
• InChI: InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1
• InChIKey: HFQMYSHATTXRTC-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2S)-2-aminopropyl]-N,N,3-trimethylaniline
• IUPAC Traditional name: amiflamine
• Synonyms: (+)-4-(dimethylamino)-α,2-dimethylphenethylamine; Amiflamine

Database IDs

• CAS Number: 77518-07-1
• PubChem SID: 162220144
• PubChem CID: 71221
• CHEMBL: 30344
• Chemspider ID: 64356
• Unique Ingredient Identifier: NE25WV9C8S
• Wikipedia Title: Amiflamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8050118
• LogD (pH = 7.4): -0.115041085
• Log P: 2.4257157
• Molar Refractivity: 63.175 cm^3
• Polarizability: 23.929508 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled