methyl(2-phenylpropyl)amine

• ChemBase ID: 30640
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(C(CNC)C)ccccc1
• Canonical SMILES: CNCC(c1ccccc1)C
• InChI: InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
• InChIKey: AUFSOOYCQYDGES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2-phenylpropyl)amine
• IUPAC Traditional name: phenpromethamine; methyl(2-phenylpropyl)amine
• Synonyms: methyl(2-phenylpropyl)amine; Methyl-(2-phenyl-propyl)-amine

Database IDs

• MDL Number: MFCD00864152
• PubChem SID: 160993947
• PubChem CID: 22276

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0435151
• LogD (pH = 7.4): -0.51739234
• Log P: 2.1852286
• Molar Refractivity: 48.5326 cm^3
• Polarizability: 19.210823 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.978

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%