[3-(cyclohexylmethoxy)phenyl]methanamine

• ChemBase ID: 288980
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: NCc1cccc(OCC2CCCCC2)c1
• Canonical SMILES: NCc1cccc(c1)OCC1CCCCC1
• InChI: InChI=1S/C14H21NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,7-9,12H,1-3,5-6,10-11,15H2
• InChIKey: HODMFYQUMLYILA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclohexylmethoxy)phenyl]methanamine
• IUPAC Traditional name: [3-(cyclohexylmethoxy)phenyl]methanamine
• Synonyms: (3-(Cyclohexylmethoxy)phenyl)methanamine

Database IDs

• CAS Number: 1019128-90-5
• PubChem SID: 180674511
• PubChem CID: 28368432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07504051
• LogD (pH = 7.4): 1.068561
• Log P: 3.0556262
• Molar Refractivity: 66.7396 cm^3
• Polarizability: 26.558538 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%