benzyl(1-cyclopropylethyl)amine

• ChemBase ID: 231423
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(CC1)C(NCc1ccccc1)C
• Canonical SMILES: CC(C1CC1)NCc1ccccc1
• InChI: InChI=1S/C12H17N/c1-10(12-7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
• InChIKey: IAFIYTMWMGDDQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1-cyclopropylethyl)amine
• IUPAC Traditional name: benzyl(1-cyclopropylethyl)amine
• Synonyms: Benzyl-(1-cyclopropyl-ethyl)-amine

Database IDs

• MDL Number: MFCD01536756
• PubChem SID: 164287333
• PubChem CID: 2794172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49227238
• LogD (pH = 7.4): 0.1793052
• Log P: 2.728747
• Molar Refractivity: 55.6668 cm^3
• Polarizability: 22.23819 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%