[(2-methoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 13343
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: c1ccc(c(c1)CNCCCN1CCOCC1)OC
• Canonical SMILES: COc1ccccc1CNCCCN1CCOCC1
• InChI: InChI=1S/C15H24N2O2/c1-18-15-6-3-2-5-14(15)13-16-7-4-8-17-9-11-19-12-10-17/h2-3,5-6,16H,4,7-13H2,1H3
• InChIKey: WWBKAIQMRPAGKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl][3-(morpholin-4-yl)propyl]amine
• Synonyms: (2-Methoxy-benzyl)-(3-morpholin-4-yl-propyl)-amine

Database IDs

• MDL Number: MFCD01475413
• PubChem SID: 160976650
• PubChem CID: 2990524

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5827453
• LogD (pH = 7.4): -0.65277785
• Log P: 1.2340271
• Molar Refractivity: 77.7282 cm^3
• Polarizability: 30.595778 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false