3-methoxy-4-(pyrrolidin-1-yl)aniline

• ChemBase ID: 312339
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(N2CCCC2)c(cc(cc1)N)OC
• Canonical SMILES: COc1cc(N)ccc1N1CCCC1
• InChI: InChI=1S/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
• InChIKey: YVEZBGKUTDESAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(pyrrolidin-1-yl)aniline
• IUPAC Traditional name: 3-methoxy-4-(pyrrolidin-1-yl)aniline
• Synonyms: 3-methoxy-4-(1-pyrrolidinyl)aniline

Database IDs

• CAS Number: 16089-42-2
• MDL Number: MFCD08753011

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0092345
• LogD (pH = 7.4): 1.4891129
• Log P: 1.50049
• Molar Refractivity: 59.1912 cm^3
• Polarizability: 21.76171 Å^3
• Polar Surface Area: 38.49 Å^2