{1-[(4-fluorophenyl)methyl]cyclopropyl}methanamine

• ChemBase ID: 246202
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: C1(CC1)(Cc1ccc(F)cc1)CN
• Canonical SMILES: NCC1(CC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)7-11(8-13)5-6-11/h1-4H,5-8,13H2
• InChIKey: BMDRIRSWAMBAME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(4-fluorophenyl)methyl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[(4-fluorophenyl)methyl]cyclopropyl}methanamine
• Synonyms: {1-[(4-fluorophenyl)methyl]cyclopropyl}methanamine

Database IDs

• MDL Number: MFCD21669843
• PubChem SID: 164302112
• PubChem CID: 66026191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7530705
• LogD (pH = 7.4): -0.011734083
• Log P: 2.2541938
• Molar Refractivity: 51.1713 cm^3
• Polarizability: 19.903101 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.389

Product Information

• Purity: 95%