1-phenylpent-4-en-1-amine

• ChemBase ID: 241326
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C(=C)CCC(c1ccccc1)N
• Canonical SMILES: C=CCCC(c1ccccc1)N
• InChI: InChI=1S/C11H15N/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9,12H2
• InChIKey: LWUOUJBBEWZNPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpent-4-en-1-amine
• IUPAC Traditional name: 1-phenylpent-4-en-1-amine
• Synonyms: 1-phenylpent-4-en-1-amine

Database IDs

• MDL Number: MFCD20291162
• PubChem SID: 164297236
• PubChem CID: 11658335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.38466465
• LogD (pH = 7.4): 0.34778905
• Log P: 2.623261
• Molar Refractivity: 52.7203 cm^3
• Polarizability: 20.909964 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.506

Product Information

• Purity: 95%