(pentan-3-yl)(2-phenylethyl)amine

• ChemBase ID: 307901
• Molecular Formular: C13H21N
• Molecular Mass: 191.31254
• Monoisotopic Mass: 191.16739968
• SMILES: N(CCc1ccccc1)C(CC)CC
• Canonical SMILES: CCC(NCCc1ccccc1)CC
• InChI: InChI=1S/C13H21N/c1-3-13(4-2)14-11-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3
• InChIKey: ODDCELUOAPMLAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentan-3-yl)(2-phenylethyl)amine
• IUPAC Traditional name: pentan-3-yl(2-phenylethyl)amine
• Synonyms: (1-ethylpropyl)(2-phenylethyl)amine

Database IDs

• CAS Number: 71797-47-2
• MDL Number: MFCD08691720

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.40304756
• LogD (pH = 7.4): 0.7342709
• Log P: 3.6386836
• Molar Refractivity: 62.2764 cm^3
• Polarizability: 24.752607 Å^3
• Polar Surface Area: 12.03 Å^2