methyl({[3-(pyridin-3-yl)phenyl]methyl})amine

• ChemBase ID: 88961
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1cccc(c1)c1cccc(c1)CNC
• Canonical SMILES: CNCc1cccc(c1)c1cccnc1
• InChI: InChI=1S/C13H14N2/c1-14-9-11-4-2-5-12(8-11)13-6-3-7-15-10-13/h2-8,10,14H,9H2,1H3
• InChIKey: LZJRRTLTBULOHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(pyridin-3-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(pyridin-3-yl)phenyl]methyl})amine
• Synonyms: N-Methyl-3-(pyridin-3-yl)benzylamine; 3-{3-[(Methylamino)methyl]phenyl}pyridine; N-Methyl[3-(pyridin-3-yl)phenyl]methylamine 97%; N-methyl-N-(3-pyridin-3-ylbenzyl)amine

Database IDs

• CAS Number: 852180-72-4
• MDL Number: MFCD07368550
• PubChem SID: 162075847
• PubChem CID: 7060576

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.298092
• LogD (pH = 7.4): -0.35053763
• Log P: 1.9611475
• Molar Refractivity: 62.2853 cm^3
• Polarizability: 25.731033 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon

Product Information

• Purity: 97%