methyl(4-phenylbutyl)amine

• ChemBase ID: 259799
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(CCCCc1ccccc1)C
• Canonical SMILES: CNCCCCc1ccccc1
• InChI: InChI=1S/C11H17N/c1-12-10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
• InChIKey: TXYKOQZEJZWJEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(4-phenylbutyl)amine
• IUPAC Traditional name: methyl(4-phenylbutyl)amine
• Synonyms: methyl(4-phenylbutyl)amine

Database IDs

• MDL Number: MFCD02089406
• PubChem SID: 164315709
• PubChem CID: 409443

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5258359
• LogD (pH = 7.4): -0.18020897
• Log P: 2.7093933
• Molar Refractivity: 53.263 cm^3
• Polarizability: 21.059532 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.487

Product Information

• Purity: 95%