(1R)-1-(4-pentylphenyl)ethan-1-amine

• ChemBase ID: 280775
• Molecular Formular: C13H21N
• Molecular Mass: 191.31254
• Monoisotopic Mass: 191.16739968
• SMILES: c1(ccc(cc1)CCCCC)[C@H](N)C
• Canonical SMILES: CCCCCc1ccc(cc1)[C@H](N)C
• InChI: InChI=1S/C13H21N/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-11H,3-6,14H2,1-2H3/t11-/m1/s1
• InChIKey: BSFCHMFDGCOBSF-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-pentylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(4-pentylphenyl)ethanamine
• Synonyms: (1R)-1-(4-pentylphenyl)ethanamine

Database IDs

• MDL Number: MFCD06762073
• PubChem SID: 180666306
• PubChem CID: 7036720

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.79884547
• LogD (pH = 7.4): 1.5242543
• Log P: 3.8072853
• Molar Refractivity: 62.3954 cm^3
• Polarizability: 24.747835 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.018

Product Information

• Purity: 95%