[2-(cyclopropylmethoxy)-4-methylphenyl]methanamine

• ChemBase ID: 236723
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(c(ccc(c1)C)CN)OCC1CC1
• Canonical SMILES: NCc1ccc(cc1OCC1CC1)C
• InChI: InChI=1S/C12H17NO/c1-9-2-5-11(7-13)12(6-9)14-8-10-3-4-10/h2,5-6,10H,3-4,7-8,13H2,1H3
• InChIKey: GXAPIMYYDXLUEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopropylmethoxy)-4-methylphenyl]methanamine
• IUPAC Traditional name: [2-(cyclopropylmethoxy)-4-methylphenyl]methanamine
• Synonyms: [2-(cyclopropylmethoxy)-4-methylphenyl]methanamine

Database IDs

• MDL Number: MFCD16704893
• PubChem SID: 164292633
• PubChem CID: 62307302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6703253
• LogD (pH = 7.4): 0.6405451
• Log P: 2.2353415
• Molar Refractivity: 57.9778 cm^3
• Polarizability: 22.786987 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.485

Product Information

• Purity: 95%