{3-[2-(dimethylamino)ethoxy]phenyl}methanamine

• ChemBase ID: 31552
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: N(CCOc1cc(CN)ccc1)(C)C
• Canonical SMILES: NCc1cccc(c1)OCCN(C)C
• InChI: InChI=1S/C11H18N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7,9,12H2,1-2H3
• InChIKey: CJJHPYWTHROFEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[2-(dimethylamino)ethoxy]phenyl}methanamine
• IUPAC Traditional name: {3-[2-(dimethylamino)ethoxy]phenyl}methanamine
• Synonyms: [2-(3-Aminomethyl-phenoxy)-ethyl]-dimethyl-amine; {3-[2-(dimethylamino)ethoxy]phenyl}methanamine

Database IDs

• MDL Number: MFCD09043583
• PubChem SID: 160994859
• PubChem CID: 16771284

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.086754
• LogD (pH = 7.4): -2.4065304
• Log P: 0.9599875
• Molar Refractivity: 59.0137 cm^3
• Polarizability: 23.279942 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%