1-(4-phenoxyphenyl)ethan-1-amine

• ChemBase ID: 267492
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(ccc(Oc2ccccc2)cc1)C(N)C
• Canonical SMILES: CC(c1ccc(cc1)Oc1ccccc1)N
• InChI: InChI=1S/C14H15NO/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11H,15H2,1H3
• InChIKey: WSQOGHJCBFRHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 1-(4-phenoxyphenyl)ethanamine
• Synonyms: 1-(4-phenoxyphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD01732464
• PubChem SID: 164323402
• PubChem CID: 59207

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.011376063
• LogD (pH = 7.4): 0.7878285
• Log P: 3.0158765
• Molar Refractivity: 65.191 cm^3
• Polarizability: 25.914284 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.501

Product Information

• Purity: 95%