(2-methoxyethyl)[(1-phenyl-1H-pyrrol-2-yl)methyl]amine

• ChemBase ID: 124823
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: n1(c(ccc1)CNCCOC)c1ccccc1
• Canonical SMILES: COCCNCc1cccn1c1ccccc1
• InChI: InChI=1S/C14H18N2O/c1-17-11-9-15-12-14-8-5-10-16(14)13-6-3-2-4-7-13/h2-8,10,15H,9,11-12H2,1H3
• InChIKey: OFXCFKYOIGFWRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(1-phenyl-1H-pyrrol-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(1-phenylpyrrol-2-yl)methyl]amine
• Synonyms: 2-methoxy-N-((1-phenyl-1H-pyrrol-2-yl)methyl)ethanamine

Database IDs

• PubChem SID: 162219176
• PubChem CID: 46784893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3652283
• LogD (pH = 7.4): 0.37392643
• Log P: 1.6867
• Molar Refractivity: 79.9794 cm^3
• Polarizability: 27.936846 Å^3
• Polar Surface Area: 26.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true