[2-(cyclopropylmethoxy)phenyl]methanamine

• ChemBase ID: 278005
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(CC1)COc1c(CN)cccc1
• Canonical SMILES: NCc1ccccc1OCC1CC1
• InChI: InChI=1S/C11H15NO/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9H,5-8,12H2
• InChIKey: LACVTFBJIFJJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopropylmethoxy)phenyl]methanamine
• IUPAC Traditional name: [2-(cyclopropylmethoxy)phenyl]methanamine
• Synonyms: (2-(Cyclopropylmethoxy)phenyl)methanamine; [2-(cyclopropylmethoxy)phenyl]methanamine

Database IDs

• CAS Number: 771572-58-8
• MDL Number: MFCD06213568
• PubChem SID: 164333915
• PubChem CID: 19627413

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1734805
• LogD (pH = 7.4): 0.16384481
• Log P: 1.7219203
• Molar Refractivity: 52.9366 cm^3
• Polarizability: 21.020657 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.986

Product Information

• Purity: 95%; 95+%