(2-{4-[(dimethylamino)methyl]phenyl}phenyl)methanamine

• ChemBase ID: 254237
• Molecular Formular: C16H20N2
• Molecular Mass: 240.3434
• Monoisotopic Mass: 240.16264865
• SMILES: c1(c2ccc(CN(C)C)cc2)c(CN)cccc1
• Canonical SMILES: NCc1ccccc1c1ccc(cc1)CN(C)C
• InChI: InChI=1S/C16H20N2/c1-18(2)12-13-7-9-14(10-8-13)16-6-4-3-5-15(16)11-17/h3-10H,11-12,17H2,1-2H3
• InChIKey: HKNWTQBRDQXKPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{4-[(dimethylamino)methyl]phenyl}phenyl)methanamine
• IUPAC Traditional name: (2-{4-[(dimethylamino)methyl]phenyl}phenyl)methanamine
• Synonyms: N-{[2'-(aminomethyl)-1,1'-biphenyl-4-yl]methyl}-N,N-dimethylamine

Database IDs

• MDL Number: MFCD09739900
• PubChem SID: 164310147
• PubChem CID: 16793090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4487498
• LogD (pH = 7.4): -1.0048547
• Log P: 2.6876364
• Molar Refractivity: 78.2103 cm^3
• Polarizability: 31.89414 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.516

Product Information

• Purity: 95%