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

• ChemBase ID: 312428
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C(=C)CNCc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CNCC=C
• InChI: InChI=1S/C12H17N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h3,5-8,13H,1,4,9-10H2,2H3
• InChIKey: VOXQMDLWYRORLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(4-ethylphenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(4-ethylbenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 893570-33-7
• MDL Number: MFCD07410225

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12652275
• LogD (pH = 7.4): 1.4920759
• Log P: 3.2208345
• Molar Refractivity: 58.1109 cm^3
• Polarizability: 22.673382 Å^3
• Polar Surface Area: 12.03 Å^2