{2-[(2-methylcyclopropyl)methoxy]phenyl}methanamine

• ChemBase ID: 799549
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C(N)c1c(cccc1)OCC1C(C1)C
• Canonical SMILES: NCc1ccccc1OCC1CC1C
• InChI: InChI=1S/C12H17NO/c1-9-6-11(9)8-14-12-5-3-2-4-10(12)7-13/h2-5,9,11H,6-8,13H2,1H3
• InChIKey: STMKZJKNRKSYCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2-methylcyclopropyl)methoxy]phenyl}methanamine
• IUPAC Traditional name: {2-[(2-methylcyclopropyl)methoxy]phenyl}methanamine
• Synonyms: (2-((2-methylcyclopropyl)methoxy)phenyl)methanamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.88646024
• LogD (pH = 7.4): 0.45086804
• Log P: 2.0089393
• Molar Refractivity: 57.4852 cm^3
• Polarizability: 22.866533 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%