(cyclobutylmethyl)(1-phenylethyl)amine

• ChemBase ID: 278503
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N(C(c1ccccc1)C)CC1CCC1
• Canonical SMILES: CC(c1ccccc1)NCC1CCC1
• InChI: InChI=1S/C13H19N/c1-11(13-8-3-2-4-9-13)14-10-12-6-5-7-12/h2-4,8-9,11-12,14H,5-7,10H2,1H3
• InChIKey: WWHFXZPZKIRVOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclobutylmethyl)(1-phenylethyl)amine
• IUPAC Traditional name: (cyclobutylmethyl)(1-phenylethyl)amine
• Synonyms: (cyclobutylmethyl)(1-phenylethyl)amine

Database IDs

• MDL Number: MFCD03211343
• PubChem SID: 164334413
• PubChem CID: 24152678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.050727986
• LogD (pH = 7.4): 0.56986487
• Log P: 3.1733155
• Molar Refractivity: 60.2678 cm^3
• Polarizability: 24.08476 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.351

Product Information

• Purity: 95%