2-[4-(aminomethyl)phenyl]benzamide

• ChemBase ID: 468233
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: c1(c(c2ccc(cc2)CN)cccc1)C(=O)N
• Canonical SMILES: NCc1ccc(cc1)c1ccccc1C(=O)N
• InChI: InChI=1S/C14H14N2O/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8H,9,15H2,(H2,16,17)
• InChIKey: FXHAIKDYESSUBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(aminomethyl)phenyl]benzamide
• IUPAC Traditional name: 2-[4-(aminomethyl)phenyl]benzamide
• Synonyms: 4'-(aminomethyl)biphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.044428
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3880757
• LogD (pH = 7.4): -0.42606193
• Log P: 1.59688
• Molar Refractivity: 68.746 cm^3
• Polarizability: 27.538282 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.07
• LOG S: -1.76
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 3