methyl(1-phenylbutan-2-yl)amine

• ChemBase ID: 279535
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(C(Cc1ccccc1)CC)C
• Canonical SMILES: CCC(Cc1ccccc1)NC
• InChI: InChI=1S/C11H17N/c1-3-11(12-2)9-10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3
• InChIKey: ONNVUALDGIKEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(1-phenylbutan-2-yl)amine
• IUPAC Traditional name: methyl(1-phenylbutan-2-yl)amine
• Synonyms: methyl(1-phenylbutan-2-yl)amine

Database IDs

• MDL Number: MFCD12154195
• PubChem SID: 164335445
• PubChem CID: 551747

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.47195613
• LogD (pH = 7.4): -0.008249326
• Log P: 2.7593532
• Molar Refractivity: 53.0038 cm^3
• Polarizability: 21.058466 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.417

Product Information

• Purity: 95%