{4-[(2-methylcyclopropyl)methoxy]phenyl}methanamine

• ChemBase ID: 799550
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C(N)c1ccc(cc1)OCC1C(C1)C
• Canonical SMILES: NCc1ccc(cc1)OCC1CC1C
• InChI: InChI=1S/C12H17NO/c1-9-6-11(9)8-14-12-4-2-10(7-13)3-5-12/h2-5,9,11H,6-8,13H2,1H3
• InChIKey: PIFYAMZHWFPJPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(2-methylcyclopropyl)methoxy]phenyl}methanamine
• IUPAC Traditional name: {4-[(2-methylcyclopropyl)methoxy]phenyl}methanamine
• Synonyms: (4-((2-methylcyclopropyl)methoxy)phenyl)methanamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9793003
• LogD (pH = 7.4): -0.042844996
• Log P: 2.0089393
• Molar Refractivity: 57.4852 cm^3
• Polarizability: 22.866285 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%