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

• ChemBase ID: 243432
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(CC1)(c1ccc(C(C)(C)C)cc1)N
• Canonical SMILES: CC(c1ccc(cc1)C1(N)CC1)(C)C
• InChI: InChI=1S/C13H19N/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-9-13/h4-7H,8-9,14H2,1-3H3
• InChIKey: FGMYLUCDARKECM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-tert-butylphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-tert-butylphenyl)cyclopropan-1-amine
• Synonyms: 1-(4-tert-butylphenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11899002
• PubChem SID: 164299342
• PubChem CID: 43378547

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.034347977
• LogD (pH = 7.4): 0.87200177
• Log P: 3.0334039
• Molar Refractivity: 60.2981 cm^3
• Polarizability: 23.999702 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.264

Product Information

• Purity: 95%