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

• ChemBase ID: 92213
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: NCc1ccccc1OCCN(C)C
• Canonical SMILES: NCc1ccccc1OCCN(C)C
• InChI: InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12/h3-6H,7-9,12H2,1-2H3
• InChIKey: NOZRJUDRDVKQDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(dimethylamino)ethoxy]phenyl}methanamine
• IUPAC Traditional name: {2-[2-(dimethylamino)ethoxy]phenyl}methanamine
• Synonyms: 2-[2-(dimethylamino)ethoxy]benzylamine; {2-[2-(dimethylamino)ethoxy]phenyl}methanamine; N-{2-[2-(Aminomethyl)phenoxy]ethyl}-N,N-dimethylamine; 2-[2-(Dimethylamino)ethoxy]benzylamine; N,N-Dimethyl-2-[2-(aminomethyl)phenoxy]ethylamine

Database IDs

• CAS Number: 91215-97-3
• MDL Number: MFCD08690290
• PubChem SID: 162078911
• PubChem CID: 235943

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.9925365
• LogD (pH = 7.4): -1.9643956
• Log P: 0.9599875
• Molar Refractivity: 59.0137 cm^3
• Polarizability: 23.280155 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 89-91°C/0.2mm
• Hydrophobicity(logP): 1.112

Safety Information

• Storage Warning: Corrosive/Harmful/Air Sensitive/Store under Argon

Product Information

• Purity: 90%; 95%