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

• ChemBase ID: 31553
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: N(CCOc1ccc(cc1)CN)(C)C
• Canonical SMILES: NCc1ccc(cc1)OCCN(C)C
• InChI: InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
• InChIKey: OBHPRQNPNGQGCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(dimethylamino)ethoxy]phenyl}methanamine
• IUPAC Traditional name: {4-[2-(dimethylamino)ethoxy]phenyl}methanamine
• Synonyms: {4-[2-(dimethylamino)ethoxy]phenyl}methanamine; [2-(4-Aminomethyl-phenoxy)-ethyl]-dimethyl-amine; 4-[2-(dimethylamino)ethoxy]benzylamine

Database IDs

• CAS Number: 20059-73-8
• MDL Number: MFCD01075231
• PubChem SID: 160994860
• PubChem CID: 88349

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.097489
• LogD (pH = 7.4): -2.4759128
• Log P: 0.9599875
• Molar Refractivity: 59.0137 cm^3
• Polarizability: 23.27991 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.112

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%