(1,2-diphenylethyl)(furan-2-ylmethyl)amine

• ChemBase ID: 11612
• Molecular Formular: C19H19NO
• Molecular Mass: 277.36026
• Monoisotopic Mass: 277.14666423
• SMILES: c1cc(oc1)CNC(Cc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(Cc1ccccc1)NCc1ccco1
• InChI: InChI=1S/C19H19NO/c1-3-8-16(9-4-1)14-19(17-10-5-2-6-11-17)20-15-18-12-7-13-21-18/h1-13,19-20H,14-15H2
• InChIKey: VMNIIKOXLGLGFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-diphenylethyl)(furan-2-ylmethyl)amine
• IUPAC Traditional name: (1,2-diphenylethyl)(furan-2-ylmethyl)amine
• Synonyms: (1,2-Diphenyl-ethyl)-furan-2-ylmethyl-amine

Database IDs

• CAS Number: 436087-17-1
• MDL Number: MFCD03446185
• PubChem SID: 160974919
• PubChem CID: 3150631

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8676673
• LogD (pH = 7.4): 3.6015122
• Log P: 4.389216
• Molar Refractivity: 85.3473 cm^3
• Polarizability: 33.40921 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false