dimethyl({3-[(methylamino)methyl]phenyl}methyl)amine

• ChemBase ID: 307369
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: c1(CN(C)C)cc(CNC)ccc1
• Canonical SMILES: CNCc1cccc(c1)CN(C)C
• InChI: InChI=1S/C11H18N2/c1-12-8-10-5-4-6-11(7-10)9-13(2)3/h4-7,12H,8-9H2,1-3H3
• InChIKey: LKKKECARVKDIIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[(methylamino)methyl]phenyl}methyl)amine
• IUPAC Traditional name: dimethyl({3-[(methylamino)methyl]phenyl}methyl)amine
• Synonyms: 1-{3-[(dimethylamino)methyl]phenyl}-N-methylmethanamine

Database IDs

• MDL Number: MFCD08060614

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8272133
• LogD (pH = 7.4): -2.1846743
• Log P: 1.4729915
• Molar Refractivity: 57.8487 cm^3
• Polarizability: 22.64567 Å^3
• Polar Surface Area: 15.27 Å^2