[(3,4-dimethoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 11690
• Molecular Formular: C16H26N2O3
• Molecular Mass: 294.38924
• Monoisotopic Mass: 294.1943427
• SMILES: c1(c(ccc(c1)CNCCCN1CCOCC1)OC)OC
• Canonical SMILES: COc1cc(CNCCCN2CCOCC2)ccc1OC
• InChI: InChI=1S/C16H26N2O3/c1-19-15-5-4-14(12-16(15)20-2)13-17-6-3-7-18-8-10-21-11-9-18/h4-5,12,17H,3,6-11,13H2,1-2H3
• InChIKey: UQCUWZDCPKMUHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine
• Synonyms: (3,4-Dimethoxy-benzyl)-(3-morpholin-4-yl-propyl)-amine; N-(3,4-dimethoxybenzyl)-3-morpholinopropan-1-amine

Database IDs

• MDL Number: MFCD01475400
• PubChem SID: 160974997
• PubChem CID: 1988082

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.815037
• LogD (pH = 7.4): -1.1415178
• Log P: 1.0763559
• Molar Refractivity: 84.1914 cm^3
• Polarizability: 33.10881 Å^3
• Polar Surface Area: 42.96 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false