2-methoxy-5-(pyrrolidin-1-yl)aniline

• ChemBase ID: 124189
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2cc(c(cc2)OC)N)CCCC1
• Canonical SMILES: COc1ccc(cc1N)N1CCCC1
• InChI: InChI=1S/C11H16N2O/c1-14-11-5-4-9(8-10(11)12)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
• InChIKey: LOFZWGMNZOSHOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(pyrrolidin-1-yl)aniline
• IUPAC Traditional name: 2-methoxy-5-(pyrrolidin-1-yl)aniline
• Synonyms: 2-methoxy-5-(pyrrolidin-1-yl)aniline

Database IDs

• PubChem SID: 162218542
• PubChem CID: 30029937

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.89426047
• LogD (pH = 7.4): 1.4841347
• Log P: 1.50049
• Molar Refractivity: 59.1912 cm^3
• Polarizability: 21.76199 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true