3-methyl-5-phenylcyclohexan-1-amine

• ChemBase ID: 236247
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: CC1CC(N)CC(C1)c1ccccc1
• Canonical SMILES: CC1CC(N)CC(C1)c1ccccc1
• InChI: InChI=1S/C13H19N/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,14H2,1H3
• InChIKey: BPGLCNOUOZBXFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-phenylcyclohexan-1-amine
• IUPAC Traditional name: 3-methyl-5-phenylcyclohexan-1-amine
• Synonyms: 3-methyl-5-phenylcyclohexanamine

Database IDs

• MDL Number: MFCD20712961
• PubChem SID: 164292157
• PubChem CID: 20692215

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.14374241
• LogD (pH = 7.4): 0.23287858
• Log P: 2.8816538
• Molar Refractivity: 60.1252 cm^3
• Polarizability: 24.006243 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.294

Product Information

• Purity: 95%