(1R)-1-(2,4,5-trimethylphenyl)ethan-1-amine

• ChemBase ID: 280680
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1(cc(c(cc1C)C)C)[C@H](N)C
• Canonical SMILES: C[C@H](c1cc(C)c(cc1C)C)N
• InChI: InChI=1S/C11H17N/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6,10H,12H2,1-4H3/t10-/m1/s1
• InChIKey: ZAXBCXGNOPSFGY-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(2,4,5-trimethylphenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(2,4,5-trimethylphenyl)ethanamine
• Synonyms: (1R)-1-(2,4,5-trimethylphenyl)ethanamine

Database IDs

• MDL Number: MFCD06762231
• PubChem SID: 180666211
• PubChem CID: 40465603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.044739384
• LogD (pH = 7.4): 0.73137224
• Log P: 3.0558534
• Molar Refractivity: 54.0738 cm^3
• Polarizability: 20.890417 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.8

Product Information

• Purity: 95%