2-(cyclopropylmethoxy)aniline

• ChemBase ID: 278509
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C1(CC1)COc1c(N)cccc1
• Canonical SMILES: Nc1ccccc1OCC1CC1
• InChI: InChI=1S/C10H13NO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7,11H2
• InChIKey: CYXGZZBWPVAYOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)aniline
• IUPAC Traditional name: 2-(cyclopropylmethoxy)aniline
• Synonyms: 2-(cyclopropylmethoxy)aniline

Database IDs

• MDL Number: MFCD08699323
• PubChem SID: 164334419
• PubChem CID: 19626923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7332941
• LogD (pH = 7.4): 1.7667816
• Log P: 1.7672259
• Molar Refractivity: 49.1636 cm^3
• Polarizability: 18.786081 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.157

Product Information

• Purity: 95%