[(4-fluorophenyl)methyl](2-methoxyethyl)amine

• ChemBase ID: 255556
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(F)ccc(cc1)CNCCOC
• Canonical SMILES: COCCNCc1ccc(cc1)F
• InChI: InChI=1S/C10H14FNO/c1-13-7-6-12-8-9-2-4-10(11)5-3-9/h2-5,12H,6-8H2,1H3
• InChIKey: GKBVCPIQDDDVEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](2-methoxyethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl](2-methoxyethyl)amine
• Synonyms: (4-fluorobenzyl)(2-methoxyethyl)amine; [(4-fluorophenyl)methyl](2-methoxyethyl)amine

Database IDs

• CAS Number: 827328-38-1
• MDL Number: MFCD05863664
• PubChem SID: 164311466
• PubChem CID: 3865760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3870935
• LogD (pH = 7.4): 0.11832463
• Log P: 1.6273211
• Molar Refractivity: 50.5659 cm^3
• Polarizability: 19.562496 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.684

Product Information

• Purity: 95%