ethyl(1-phenylbutan-2-yl)amine

• ChemBase ID: 237882
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(C(Cc1ccccc1)CC)CC
• Canonical SMILES: CCC(Cc1ccccc1)NCC
• InChI: InChI=1S/C12H19N/c1-3-12(13-4-2)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
• InChIKey: KHWYSUBVXWWBRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(1-phenylbutan-2-yl)amine
• IUPAC Traditional name: ethyl(1-phenylbutan-2-yl)amine
• Synonyms: ethyl(1-phenylbutan-2-yl)amine

Database IDs

• MDL Number: MFCD12154200
• PubChem SID: 164293792
• PubChem CID: 14833603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11698255
• LogD (pH = 7.4): 0.29556814
• Log P: 3.116161
• Molar Refractivity: 57.7524 cm^3
• Polarizability: 22.905432 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.946

Product Information

• Purity: 95%