1-(4-tert-butylphenyl)cyclobutan-1-amine

• ChemBase ID: 241441
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: C1(c2ccc(C(C)(C)C)cc2)(N)CCC1
• Canonical SMILES: CC(c1ccc(cc1)C1(N)CCC1)(C)C
• InChI: InChI=1S/C14H21N/c1-13(2,3)11-5-7-12(8-6-11)14(15)9-4-10-14/h5-8H,4,9-10,15H2,1-3H3
• InChIKey: ZENPMQYHXUYRAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-tert-butylphenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(4-tert-butylphenyl)cyclobutan-1-amine
• Synonyms: 1-(4-tert-butylphenyl)cyclobutan-1-amine; 1-(4-TERT-BUTYLPHENYL)CYCLOBUTANAMINE

Database IDs

• MDL Number: MFCD12168518
• PubChem SID: 164297351
• PubChem CID: 43378546

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46559158
• LogD (pH = 7.4): 1.1324663
• Log P: 3.4779725
• Molar Refractivity: 64.8991 cm^3
• Polarizability: 25.846745 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.823

Product Information

• Purity: 95%; 98%