1-(2-methylphenyl)propan-2-amine

• ChemBase ID: 128750
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: NC(C)Cc1c(C)cccc1
• Canonical SMILES: CC(Cc1ccccc1C)N
• InChI: InChI=1S/C10H15N/c1-8-5-3-4-6-10(8)7-9(2)11/h3-6,9H,7,11H2,1-2H3
• InChIKey: ZEMQBDFHXOOXLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylphenyl)propan-2-amine
• IUPAC Traditional name: ortetamine
• Synonyms: 1-(2-methylphenyl)propan-2-amine; Ortetamine; O-Toylylaminopropane; Ortetamine

Database IDs

• CAS Number: 5580-32-5
• MDL Number: MFCD00868779
• PubChem SID: 162223056
• PubChem CID: 115808
• Chemspider ID: 103572
• Unique Ingredient Identifier: VF4N11KKKR
• Wikipedia Title: Ortetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.70175004
• LogD (pH = 7.4): -0.1665803
• Log P: 2.3176718
• Molar Refractivity: 48.7464 cm^3
• Polarizability: 19.129162 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.191

Product Information

• Purity: 95%