2-[4-(2-methylpropyl)phenyl]-N-{2-[4-(2-methylpropyl)phenyl]propyl}propanimidamide hydrochloride

• ChemBase ID: 199150
• Molecular Formular: C26H39ClN2
• Molecular Mass: 415.05426
• Monoisotopic Mass: 414.28017694
• SMILES: C(=N)(NCC(c1ccc(cc1)CC(C)C)C)C(c1ccc(cc1)CC(C)C)C.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)C(CNC(=N)C(c1ccc(cc1)CC(C)C)C)C)C.Cl
• InChI: InChI=1S/C26H38N2.ClH/c1-18(2)15-22-7-11-24(12-8-22)20(5)17-28-26(27)21(6)25-13-9-23(10-14-25)16-19(3)4;/h7-14,18-21H,15-17H2,1-6H3,(H2,27,28);1H
• InChIKey: FNBIIDZPEBUDSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methylpropyl)phenyl]-N-{2-[4-(2-methylpropyl)phenyl]propyl}propanimidamide hydrochloride
• IUPAC Traditional name: 2-[4-(2-methylpropyl)phenyl]-N-{2-[4-(2-methylpropyl)phenyl]propyl}propanimidamide hydrochloride

Database IDs

• PubChem SID: 164255060
• PubChem CID: 52993862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.0363183
• LogD (pH = 7.4): 5.039373
• Log P: 7.4517384
• Molar Refractivity: 132.5538 cm^3
• Polarizability: 47.438698 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds