[(4-methoxyphenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 261490
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C(=C)CNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCC=C
• InChI: InChI=1S/C11H15NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h3-7,12H,1,8-9H2,2H3
• InChIKey: RWUUVIFIVMIGJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: [(4-methoxyphenyl)methyl](prop-2-en-1-yl)amine

Database IDs

• MDL Number: MFCD07406339
• PubChem SID: 164317400
• PubChem CID: 4717987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9455145
• LogD (pH = 7.4): 0.50566435
• Log P: 2.105173
• Molar Refractivity: 54.9319 cm^3
• Polarizability: 21.52519 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 2.203

Product Information

• Purity: 95%