(2-phenylethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 14733
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(CCNCc2ccccn2)ccccc1
• Canonical SMILES: c1ccc(cc1)CCNCc1ccccn1
• InChI: InChI=1S/C14H16N2/c1-2-6-13(7-3-1)9-11-15-12-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
• InChIKey: BPCVSTFLDMPNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: (2-phenylethyl)(pyridin-2-ylmethyl)amine
• Synonyms: (2-phenylethyl)(pyridin-2-ylmethyl)amine; Phenethyl-pyridin-2-ylmethyl-amine

Database IDs

• CAS Number: 418776-49-5
• MDL Number: MFCD01135071
• PubChem SID: 160978040
• PubChem CID: 2063754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.49246013
• LogD (pH = 7.4): 1.1250004
• Log P: 2.4085283
• Molar Refractivity: 65.9945 cm^3
• Polarizability: 26.055824 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false