N-(4-fluorophenyl)pyrrolidin-3-amine

• ChemBase ID: 34538
• Molecular Formular: C10H13FN2
• Molecular Mass: 180.2220232
• Monoisotopic Mass: 180.10627665
• SMILES: N1CC(CC1)Nc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)NC1CNCC1
• InChI: InChI=1S/C10H13FN2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12-13H,5-7H2
• InChIKey: OGNLBWVIULUBBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)pyrrolidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)pyrrolidin-3-amine
• Synonyms: N-(4-Fluorophenyl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD06740350
• PubChem SID: 160997845
• PubChem CID: 25219511

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.061782
• LogD (pH = 7.4): -1.678003
• Log P: 1.1725243
• Molar Refractivity: 51.7592 cm^3
• Polarizability: 19.283844 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false