dimethyl({4-[(methylamino)methyl]phenyl}methyl)amine

• ChemBase ID: 266741
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: N(Cc1ccc(cc1)CNC)(C)C
• Canonical SMILES: CNCc1ccc(cc1)CN(C)C
• InChI: InChI=1S/C11H18N2/c1-12-8-10-4-6-11(7-5-10)9-13(2)3/h4-7,12H,8-9H2,1-3H3
• InChIKey: TYMWHXVEBSVNAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({4-[(methylamino)methyl]phenyl}methyl)amine
• IUPAC Traditional name: dimethyl({4-[(methylamino)methyl]phenyl}methyl)amine
• Synonyms: dimethyl({4-[(methylamino)methyl]phenyl}methyl)amine; 1-{4-[(dimethylamino)methyl]phenyl}-N-methylmethanamine

Database IDs

• CAS Number: 179873-24-6
• MDL Number: MFCD08060615
• PubChem SID: 164322651
• PubChem CID: 28063986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8479357
• LogD (pH = 7.4): -2.2258406
• Log P: 1.4729915
• Molar Refractivity: 57.8487 cm^3
• Polarizability: 22.64567 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.344

Product Information

• Purity: 95%