(3-phenylpropyl)(propan-2-yl)amine

• ChemBase ID: 307878
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(C(C)C)CCCc1ccccc1
• Canonical SMILES: CC(NCCCc1ccccc1)C
• InChI: InChI=1S/C12H19N/c1-11(2)13-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
• InChIKey: AGDHSWAZTKYTNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-phenylpropyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(3-phenylpropyl)amine
• Synonyms: N-isopropyl-3-phenylpropan-1-amine

Database IDs

• CAS Number: 87462-11-1
• MDL Number: MFCD08691702

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.19512263
• LogD (pH = 7.4): 0.21186323
• Log P: 3.0382075
• Molar Refractivity: 57.8294 cm^3
• Polarizability: 22.906427 Å^3
• Polar Surface Area: 12.03 Å^2