(2-phenylethyl)(prop-2-en-1-yl)amine

• ChemBase ID: 265289
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C(=C)CNCCc1ccccc1
• Canonical SMILES: C=CCNCCc1ccccc1
• InChI: InChI=1S/C11H15N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
• InChIKey: JFKVJZFRJPBLIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(prop-2-en-1-yl)amine
• IUPAC Traditional name: (2-phenylethyl)(prop-2-en-1-yl)amine
• Synonyms: (2-phenylethyl)(prop-2-en-1-yl)amine

Database IDs

• MDL Number: MFCD08756490
• PubChem SID: 164321199
• PubChem CID: 10012381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.62369454
• LogD (pH = 7.4): 0.45913368
• Log P: 2.5515056
• Molar Refractivity: 53.2237 cm^3
• Polarizability: 20.830774 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.353

Product Information

• Purity: 95%