(1-phenylethyl)(propan-2-yl)amine

• ChemBase ID: 289536
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: CC(NC(c1ccccc1)C)C
• Canonical SMILES: CC(c1ccccc1)NC(C)C
• InChI: InChI=1S/C11H17N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3
• InChIKey: QFUIZDLZUZDWJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylethyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(1-phenylethyl)amine
• Synonyms: N-(1-Phenylethyl)propan-2-amine

Database IDs

• CAS Number: 19302-16-0
• PubChem SID: 180675067
• PubChem CID: 3805391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49445415
• LogD (pH = 7.4): 0.249642
• Log P: 2.7215526
• Molar Refractivity: 52.8922 cm^3
• Polarizability: 21.137405 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%