1-(3,5-dimethylphenyl)ethan-1-amine

• ChemBase ID: 271752
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(cc(cc(c1)C)C)C(N)C
• Canonical SMILES: Cc1cc(cc(c1)C)C(N)C
• InChI: InChI=1S/C10H15N/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6,9H,11H2,1-3H3
• InChIKey: BWGRGXSRUZMWFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethylphenyl)ethan-1-amine
• IUPAC Traditional name: 1-(3,5-dimethylphenyl)ethanamine
• Synonyms: 1-(3,5-dimethylphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD12806396
• PubChem SID: 164327662
• PubChem CID: 23147746

CALCULATED PROPERTIES

• Log P: 2.542432
• Molar Refractivity: 49.0326 cm^3
• Polarizability: 19.125757 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.46850103
• LogD (pH = 7.4): 0.22087702

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.401

Product Information

• Purity: 95%