(1S)-1-(4-hexylphenyl)ethan-1-amine

• ChemBase ID: 280781
• Molecular Formular: C14H23N
• Molecular Mass: 205.33912
• Monoisotopic Mass: 205.18304974
• SMILES: c1(ccc(cc1)CCCCCC)[C@@H](N)C
• Canonical SMILES: CCCCCCc1ccc(cc1)[C@@H](N)C
• InChI: InChI=1S/C14H23N/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-12H,3-7,15H2,1-2H3/t12-/m0/s1
• InChIKey: CIHXLHDRIVXUKS-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(4-hexylphenyl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(4-hexylphenyl)ethanamine
• Synonyms: (1S)-1-(4-hexylphenyl)ethanamine

Database IDs

• MDL Number: MFCD06762138
• PubChem SID: 180666312
• PubChem CID: 25324494

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2434142
• LogD (pH = 7.4): 1.9688231
• Log P: 4.251854
• Molar Refractivity: 66.9964 cm^3
• Polarizability: 26.594824 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.547

Product Information

• Purity: 95%