methyl({[4-(pyridin-2-yl)phenyl]methyl})amine

• ChemBase ID: 92486
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1c(cccc1)c1ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C13H14N2/c1-14-10-11-5-7-12(8-6-11)13-4-2-3-9-15-13/h2-9,14H,10H2,1H3
• InChIKey: YOINJDRZIKXIFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[4-(pyridin-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[4-(pyridin-2-yl)phenyl]methyl})amine
• Synonyms: N-methyl-N-(4-pyridin-2-ylbenzyl)amine; N-Methyl-4-(pyridin-2-yl)benzylamine

Database IDs

• CAS Number: 869901-08-6
• MDL Number: MFCD08271910
• PubChem SID: 162079184
• PubChem CID: 7537536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8600778
• LogD (pH = 7.4): 0.22213843
• Log P: 2.346998
• Molar Refractivity: 61.9133 cm^3
• Polarizability: 25.732662 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Corrosive

Product Information

• Purity: 97%