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

• ChemBase ID: 257971
• Molecular Formular: C13H22N2O
• Molecular Mass: 222.32658
• Monoisotopic Mass: 222.17321333
• SMILES: N(CCOc1ccc(cc1)CN)(CC)CC
• Canonical SMILES: CCN(CCOc1ccc(cc1)CN)CC
• InChI: InChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-13-7-5-12(11-14)6-8-13/h5-8H,3-4,9-11,14H2,1-2H3
• InChIKey: LFPUFCAIFUNCLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(diethylamino)ethoxy]phenyl}methanamine
• IUPAC Traditional name: {4-[2-(diethylamino)ethoxy]phenyl}methanamine
• Synonyms: N-{2-[4-(aminomethyl)phenoxy]ethyl}-N,N-diethylamine

Database IDs

• MDL Number: MFCD09705527
• PubChem SID: 164313881
• PubChem CID: 235944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.6446285
• LogD (pH = 7.4): -2.2888477
• Log P: 1.6736034
• Molar Refractivity: 68.5109 cm^3
• Polarizability: 26.972036 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.17

Product Information

• Purity: 95%