(2-azidoethyl)[(3-fluorophenyl)methyl]methylamine

• ChemBase ID: 242488
• Molecular Formular: C10H13FN4
• Molecular Mass: 208.2354232
• Monoisotopic Mass: 208.11242466
• SMILES: [N+](=[N-])=NCCN(Cc1cc(F)ccc1)C
• Canonical SMILES: [N-]=[N+]=NCCN(Cc1cccc(c1)F)C
• InChI: InChI=1S/C10H13FN4/c1-15(6-5-13-14-12)8-9-3-2-4-10(11)7-9/h2-4,7H,5-6,8H2,1H3
• InChIKey: ZIMGWCIDEGATPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-azidoethyl)[(3-fluorophenyl)methyl]methylamine
• IUPAC Traditional name: (2-azidoethyl)[(3-fluorophenyl)methyl]methylamine
• Synonyms: (2-azidoethyl)[(3-fluorophenyl)methyl]methylamine

Database IDs

• MDL Number: MFCD14658203
• PubChem SID: 164298398
• PubChem CID: 61396858

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4419288
• LogD (pH = 7.4): 1.3270195
• Log P: 2.187587
• Molar Refractivity: 57.4019 cm^3
• Polarizability: 21.149233 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.321

Product Information

• Purity: 95%