2-(2,6-dimethylphenyl)ethan-1-amine

• ChemBase ID: 240093
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(cccc1C)C)CCN
• Canonical SMILES: NCCc1c(C)cccc1C
• InChI: InChI=1S/C10H15N/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5H,6-7,11H2,1-2H3
• InChIKey: NVXJQKFBPRPHND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylphenyl)ethan-1-amine
• IUPAC Traditional name: phenethylamine,2,6-dimethyl
• Synonyms: 2-(2,6-dimethylphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD01310817
• PubChem SID: 164296003
• PubChem CID: 23273462

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59665066
• LogD (pH = 7.4): 0.08914637
• Log P: 2.414518
• Molar Refractivity: 49.3688 cm^3
• Polarizability: 19.047127 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.331

Product Information

• Purity: 95%