[1-(4-fluorophenyl)propyl](7-methyloctyl)amine hydrochloride

• ChemBase ID: 275711
• Molecular Formular: C18H31ClFN
• Molecular Mass: 315.8968432
• Monoisotopic Mass: 315.2129059
• SMILES: c1(ccc(cc1)F)C(NCCCCCCC(C)C)CC.Cl
• Canonical SMILES: CCC(c1ccc(cc1)F)NCCCCCCC(C)C.Cl
• InChI: InChI=1S/C18H30FN.ClH/c1-4-18(16-10-12-17(19)13-11-16)20-14-8-6-5-7-9-15(2)3;/h10-13,15,18,20H,4-9,14H2,1-3H3;1H
• InChIKey: DIGPXGKOUVBXLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluorophenyl)propyl](7-methyloctyl)amine hydrochloride
• IUPAC Traditional name: [1-(4-fluorophenyl)propyl](7-methyloctyl)amine hydrochloride
• Synonyms: [1-(4-fluorophenyl)propyl](7-methyloctyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18917403
• PubChem SID: 164331621
• PubChem CID: 53529649

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7854345
• LogD (pH = 7.4): 3.5140724
• Log P: 6.002587
• Molar Refractivity: 85.2914 cm^3
• Polarizability: 33.62163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 6.593

Product Information

• Purity: 95%