4-methyl-4-phenylpentan-2-amine

• ChemBase ID: 264674
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: C(CC(N)C)(c1ccccc1)(C)C
• Canonical SMILES: CC(CC(c1ccccc1)(C)C)N
• InChI: InChI=1S/C12H19N/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10H,9,13H2,1-3H3
• InChIKey: ZEKIMUJKTNMBLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4-phenylpentan-2-amine
• IUPAC Traditional name: 4-methyl-4-phenylpentan-2-amine
• Synonyms: 4-methyl-4-phenylpentan-2-amine; (1,3-dimethyl-3-phenylbutyl)amine

Database IDs

• CAS Number: 24854-91-9
• MDL Number: MFCD09891081
• PubChem SID: 164320584
• PubChem CID: 13290299

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18908091
• LogD (pH = 7.4): 0.20119695
• Log P: 2.8358853
• Molar Refractivity: 57.3299 cm^3
• Polarizability: 22.90464 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.919

Product Information

• Purity: 95%