2-(3,4-dimethylphenyl)cyclopropan-1-amine

• ChemBase ID: 264428
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1N)c1cc(c(cc1)C)C
• Canonical SMILES: NC1CC1c1ccc(c(c1)C)C
• InChI: InChI=1S/C11H15N/c1-7-3-4-9(5-8(7)2)10-6-11(10)12/h3-5,10-11H,6,12H2,1-2H3
• InChIKey: KNIOVMIFMGBHCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethylphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(3,4-dimethylphenyl)cyclopropan-1-amine
• Synonyms: 2-(3,4-dimethylphenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD12068336
• PubChem SID: 164320338
• PubChem CID: 21190487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6352967
• LogD (pH = 7.4): 0.18133865
• Log P: 2.3657253
• Molar Refractivity: 51.779 cm^3
• Polarizability: 20.147413 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.426

Product Information

• Purity: 95%