2-(4-tert-butylphenyl)-2-methylpropan-1-amine

• ChemBase ID: 243549
• Molecular Formular: C14H23N
• Molecular Mass: 205.33912
• Monoisotopic Mass: 205.18304974
• SMILES: C(c1ccc(C(C)(C)C)cc1)(CN)(C)C
• Canonical SMILES: NCC(c1ccc(cc1)C(C)(C)C)(C)C
• InChI: InChI=1S/C14H23N/c1-13(2,3)11-6-8-12(9-7-11)14(4,5)10-15/h6-9H,10,15H2,1-5H3
• InChIKey: FXZACVVCQOWRCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-tert-butylphenyl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(4-tert-butylphenyl)-2-methylpropan-1-amine
• Synonyms: 2-(4-tert-butylphenyl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD11898929
• PubChem SID: 164299459
• PubChem CID: 12052828

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6865045
• LogD (pH = 7.4): 1.6151406
• Log P: 3.6757054
• Molar Refractivity: 66.822 cm^3
• Polarizability: 26.512722 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.057

Product Information

• Purity: 95%