[4-(cyclohexyloxy)phenyl]methanamine

• ChemBase ID: 267028
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: O(c1ccc(cc1)CN)C1CCCCC1
• Canonical SMILES: NCc1ccc(cc1)OC1CCCCC1
• InChI: InChI=1S/C13H19NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h6-9,12H,1-5,10,14H2
• InChIKey: TZGIKTKRPOBYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(cyclohexyloxy)phenyl]methanamine
• IUPAC Traditional name: [4-(cyclohexyloxy)phenyl]methanamine
• Synonyms: [4-(cyclohexyloxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD08699726
• PubChem SID: 164322938
• PubChem CID: 19627340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.24751152
• LogD (pH = 7.4): 0.6898656
• Log P: 2.7406135
• Molar Refractivity: 62.0088 cm^3
• Polarizability: 24.712162 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.044

Product Information

• Purity: 95%