(2-methylpropyl)(2-phenylethyl)amine

• ChemBase ID: 255563
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(CC(C)C)CCc1ccccc1
• Canonical SMILES: CC(CNCCc1ccccc1)C
• InChI: InChI=1S/C12H19N/c1-11(2)10-13-9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
• InChIKey: MYJFFRMEBNWEQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(2-phenylethyl)amine
• IUPAC Traditional name: (2-methylpropyl)(2-phenylethyl)amine
• Synonyms: (2-methylpropyl)(2-phenylethyl)amine

Database IDs

• MDL Number: MFCD08756436
• PubChem SID: 164311473
• PubChem CID: 412772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.169664
• LogD (pH = 7.4): 0.20958199
• Log P: 3.064559
• Molar Refractivity: 57.8052 cm^3
• Polarizability: 22.90563 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.036

Product Information

• Purity: 95%