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

• ChemBase ID: 13344
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: c1cc(cc(c1)CNCCCN1CCOCC1)OC
• Canonical SMILES: COc1cccc(c1)CNCCCN1CCOCC1
• InChI: InChI=1S/C15H24N2O2/c1-18-15-5-2-4-14(12-15)13-16-6-3-7-17-8-10-19-11-9-17/h2,4-5,12,16H,3,6-11,13H2,1H3
• InChIKey: MJDPYPBTAKZGRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03724728
• PubChem SID: 160976651
• PubChem CID: 3152144

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.651845
• LogD (pH = 7.4): -1.0515224
• Log P: 1.2340271
• Molar Refractivity: 77.7282 cm^3
• Polarizability: 30.595566 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