N-(2-aminophenyl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 308297
• Molecular Formular: C12H17N3O
• Molecular Mass: 219.28288
• Monoisotopic Mass: 219.13716218
• SMILES: C(=O)(Nc1c(N)cccc1)CN1CCCC1
• Canonical SMILES: O=C(Nc1ccccc1N)CN1CCCC1
• InChI: InChI=1S/C12H17N3O/c13-10-5-1-2-6-11(10)14-12(16)9-15-7-3-4-8-15/h1-2,5-6H,3-4,7-9,13H2,(H,14,16)
• InChIKey: FGXUYDNLQYXMOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-(2-aminophenyl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-(2-aminophenyl)-2-(1-pyrrolidinyl)acetamide

Database IDs

• CAS Number: 91646-50-3
• MDL Number: MFCD09051657

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2079414
• LogD (pH = 7.4): 0.38271397
• Log P: 0.6793262
• Molar Refractivity: 66.5914 cm^3
• Polarizability: 24.511374 Å^3
• Polar Surface Area: 58.36 Å^2