{4-[2-(diethylamino)ethoxy]-3-methoxyphenyl}methanamine

• ChemBase ID: 260132
• Molecular Formular: C14H24N2O2
• Molecular Mass: 252.35256
• Monoisotopic Mass: 252.18377802
• SMILES: c1(c(ccc(c1)CN)OCCN(CC)CC)OC
• Canonical SMILES: CCN(CCOc1ccc(cc1OC)CN)CC
• InChI: InChI=1S/C14H24N2O2/c1-4-16(5-2)8-9-18-13-7-6-12(11-15)10-14(13)17-3/h6-7,10H,4-5,8-9,11,15H2,1-3H3
• InChIKey: FOWDLOOZXVUBGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(diethylamino)ethoxy]-3-methoxyphenyl}methanamine
• IUPAC Traditional name: {4-[2-(diethylamino)ethoxy]-3-methoxyphenyl}methanamine
• Synonyms: {4-[2-(diethylamino)ethoxy]-3-methoxyphenyl}methanamine

Database IDs

• MDL Number: MFCD09712784
• PubChem SID: 164316042
• PubChem CID: 16782792

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.774108
• LogD (pH = 7.4): -2.3223872
• Log P: 1.5159322
• Molar Refractivity: 74.9741 cm^3
• Polarizability: 29.469217 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.909

Product Information

• Purity: 95%